(2R,3R,4S)-2-({[(1R)-2-Hydroxy-1-phenylethyl]amino}methyl)pyrrolidine-3,4-diol

PubChem CID: 11425273

Connections displayed (default: 10).

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Compound Synonyms	(2R,3R,4S)-2-({[(1R)-2-HYDROXY-1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-3,4-DIOL, CHEMBL425723, CHEBI:42787, (2R,3R,4S)-2-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]pyrrolidine-3,4-diol, SCHEMBL13808578, BDBM50168988, Q27120493
Topological Polar Surface Area	84.8
Hydrogen Bond Donor Count	5.0
Heavy Atom Count	18.0
Isotope Atom Count	0.0
Molecular Complexity	246.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	4.0
Uniprot Id	Q9SEH8, n.a., O00754, Q16706, Q9UKM7
Iupac Name	(2R,3R,4S)-2-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]pyrrolidine-3,4-diol
Prediction Hob	1.0
Target Id	NPT499, NPT1132, NPT1133
Xlogp	-0.6
Molecular Formula	C13H20N2O3
Prediction Swissadme	1.0
Inchi Key	OGMKEJTXCCFISS-MROQNXINSA-N
Fcsp3	0.5384615384615384
Logs	-0.433
Rotatable Bond Count	5.0
Logd	0.081
Compound Name	(2R,3R,4S)-2-({[(1R)-2-Hydroxy-1-phenylethyl]amino}methyl)pyrrolidine-3,4-diol
Prediction Hob Swissadme	1.0
Exact Mass	252.147
Formal Charge	0.0
Monoisotopic Mass	252.147
Hydrogen Bond Acceptor Count	5.0
Molecular Weight	252.31
Covalent Unit Count	1.0
Total Atom Stereocenter Count	4.0
Total Bond Stereocenter Count	0.0
Esol	-0.9241134666666664
Inchi	InChI=1S/C13H20N2O3/c16-8-11(9-4-2-1-3-5-9)14-6-10-13(18)12(17)7-15-10/h1-5,10-18H,6-8H2/t10-,11+,12+,13-/m1/s1
Smiles	C1[C@@H]([C@@H]([C@H](N1)CN[C@@H](CO)C2=CC=CC=C2)O)O
Nring	2.0
Defined Bond Stereocenter Count	0.0

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(2R,3R,4S)-2-({[(1R)-2-Hydroxy-1-phenylethyl]amino}methyl)pyrrolidine-3,4-diol

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Phytochemical Properties

Associated Connections 67

Plant Connections 67