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Homoarginine

PubChem CID: 9085

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Compound Synonyms L-Homoarginine, homoarginine, 156-86-5, H-HoArg-OH, homo-l-arginine, H-HomoArg-OH, n6-amidino-lysine, L-Lysine, N6-(aminoiminomethyl)-, L-N(sup 6)-Amidinolysine, N6-amidino-L-Lysine, (S)-2-Amino-6-guanidinohexanoic acid, N6-(Aminoiminomethyl)-L-lysine, L-Lysine, N(sup 6)-(aminoiminomethyl)-, NSC 27429, LYSINE, N(sup 6)-AMIDINO-, L-, CHEBI:27747, (2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid, L-N(6)-amidinolysine, L-Lysine, N(6)-(aminoiminomethyl)-, CHEMBL589752, JF751CK38I, DTXSID70926980, Homoarginine, L-, N6-carbamimidoyl-L-lysine, UNII-JF751CK38I, LHomoarginine, h-Homoarginine, MFCD00237108, NSC-27429, NSC-88868, HRG, L-HomoArg-OH, LN(sup 6)Amidinolysine, bmse000745, SCHEMBL43287, LYSINE, N6-AMIDINO-, N(6)-carbamimidoyl-L-lysine, N~6~-carbamimidoyl-L-lysine, Lysine, N(sup 6)amidino, L, LLysine, N6(aminoiminomethyl), SCHEMBL21802133, DTXCID001355785, LYSINE, N6-AMIDINO-, L-, AC2507, BDBM50309588, s6109, LLysine, N(sup 6)(aminoiminomethyl), AKOS006282043, AKOS015894481, LLysine, N6(aminoiminomethyl) (9CI), CS-W008385, DB03974, HY-W008385, 13094-78-5, DS-15039, L-Lysine, N6-(aminoiminomethyl)- (9CI), (2S)-2-amino-6-carbamimidamidohexanoic acid, NS00068514, C01924, (S)-2-Amino-6-guanidinohexanoic acid (H-L-hArg-OH), Q57828472
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 128.0
Hydrogen Bond Donor Count 4.0
Pfizer 3 75 Rule True
Np Classifier Class Aminoacids
Deep Smiles NC=NCCCC[C@@H]C=O)O))N)))))))N
Heavy Atom Count 13.0
Classyfire Class Carboxylic acids and derivatives
Classyfire Subclass Amino acids, peptides, and analogues
Isotope Atom Count 0.0
Molecular Complexity 189.0
Database Name cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Uniprot Id P29474, Q9Y263, P05186, P09923
Iupac Name (2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid
Prediction Hob 1.0
Class Carboxylic acids and derivatives
Veber Rule True
Classyfire Superclass Organic acids and derivatives
Xlogp -3.7
Superclass Organic acids and derivatives
Subclass Amino acids, peptides, and analogues
Gsk 4 400 Rule True
Molecular Formula C7H16N4O2
Prediction Swissadme 0.0
Inchi Key QUOGESRFPZDMMT-YFKPBYRVSA-N
Silicos It Class Soluble
Fcsp3 0.7142857142857143
Logs -1.644
Rotatable Bond Count 6.0
State Solid
Logd -1.143
Synonyms Homoarginine, L-N(6)-Amidinolysine, N6-(Aminoiminomethyl)-L-lysine, N6-Amidino-L-lysine, N6-Amidino-lysine, L-Homoarginine, Homo-L-arginine, homoarginine, l-homoarginine
Esol Class Highly soluble
Functional Groups CC(=O)O, CN, CN=C(N)N
Compound Name Homoarginine
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 188.127
Formal Charge 0.0
Monoisotopic Mass 188.127
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 188.23
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic acyclic compounds
Lipinski Rule Of 5 True
Esol 1.8741678000000002
Inchi InChI=1S/C7H16N4O2/c8-5(6(12)13)3-1-2-4-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m0/s1
Smiles C(CCN=C(N)N)C[C@@H](C(=O)O)N
Nring 0.0
Np Classifier Biosynthetic Pathway Amino acids and Peptides
Defined Bond Stereocenter Count 0.0
Egan Rule False
Taxonomy Direct Parent L-alpha-amino acids
Np Classifier Superclass Small peptides

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