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(2R)-2-methylbutanoic acid

PubChem CID: 6950479

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Compound Synonyms (R)-2-Methylbutanoic acid, 32231-50-8, (R)-2-methylbutyric acid, (2R)-2-methylbutanoic acid, (2R)-2-methylbutyric acid, CHEBI:45525, CHEMBL1162483, DTXSID8091536, MFCD09029093, Butanoic acid, 2-methyl-, (2R)-, (2R)-2-Methylbutanoic Acid, (-)-2-Methylbutanoic Acid, (R)-(-)-2-Methylbutanoic Acid, , (R)-2-methylbutanoate, (R)-2-Methylbutanoicacid, (-)-2-Methylbutanoic acid, (R)-2-methyl-butyric acid, (+-)-2-Methylbutanoic acid, SCHEMBL186666, DTXCID5065221, BDBM50412188, STL164328, AKOS005363826, DB03741, FM25798, DS-17164, PD007278, DB-310269, CS-0130653, NS00068272, EN300-100504, Q27094645, (2R)-2-Methyl-butanoic acid, (-)-2-Methylbutanoic acid, (R)-(-)-2-Methylbutanoic acid, 995-236-2
Topological Polar Surface Area 37.3
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 7.0
Isotope Atom Count 0.0
Molecular Complexity 68.5
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Uniprot Id Q80UJ1, Q8VC69
Iupac Name (2R)-2-methylbutanoic acid
Prediction Hob 1.0
Xlogp 1.2
Molecular Formula C5H10O2
Prediction Swissadme 0.0
Inchi Key WLAMNBDJUVNPJU-SCSAIBSYSA-N
Fcsp3 0.8
Logs -0.35
Rotatable Bond Count 2.0
Logd 2.241
Compound Name (2R)-2-methylbutanoic acid
Prediction Hob Swissadme 0.0
Exact Mass 102.068
Formal Charge 0.0
Monoisotopic Mass 102.068
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 102.13
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -1.0846245999999997
Inchi InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/t4-/m1/s1
Smiles CC[C@@H](C)C(=O)O
Nring 0.0
Defined Bond Stereocenter Count 0.0