(2R,3S)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid

C17H17NO5 — CID 15839659

IUPAC(2R,3S)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid
SMILESO=C(N[C@@H](c1ccccc1)[C@@H](O)C(=O)O)OCc1ccccc1
InChIInChI=1S/C17H17NO5/c19-15(16(20)21)14(13-9-5-2-6-10-13)18-17(22)23-11-12-7-3-1-4-8-12/h1-10,14-15,19H,11H2,(H,18,22)(H,20,21)/t14-,15+/m0/s1
InChIKeyABMWXVIQDORZGH-LSDHHAIUSA-N
MW315.32 g/mol
LogP2.10
Rot. Bonds6

About (2R,3S)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid

(2R,3S)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid (PubChem CID 15839659) has the molecular formula C17H17NO5 and a molecular weight of 315.32 g/mol. Its IUPAC name is (2R,3S)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name(2R,3S)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid
PubChem CID15839659
Molecular FormulaC17H17NO5
Molecular Weight315.32 g/mol
Exact Mass315.11
IUPAC Name(2R,3S)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid
SMILESO=C(N[C@@H](c1ccccc1)[C@@H](O)C(=O)O)OCc1ccccc1
InChIInChI=1S/C17H17NO5/c19-15(16(20)21)14(13-9-5-2-6-10-13)18-17(22)23-11-12-7-3-1-4-8-12/h1-10,14-15,19H,11H2,(H,18,22)(H,20,21)/t14-,15+/m0/s1
InChIKeyABMWXVIQDORZGH-LSDHHAIUSA-N
XLogP2.10
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R,3S)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 15837581
methyl (3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 22865507
ethyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 139832996
(2S,3R)-2-amino-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid
CID 25136290
benzyl N-[(1S,2S)-2-amino-1,2-diphenylethyl]carbamate
CID 139989757
ethyl (2S)-2-hydroxy-3-(4-methylphenyl)-3-(phenylmethoxycarbonylamino)propanoate
CID 90141045
(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid
CID 819214
(2S,3S)-3-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 101062090
(2S,3R)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoic acid
CID 11067450
(2S)-2-iodo-2-(phenylmethoxycarbonylamino)acetic acid
CID 126547050
benzyl (2R)-3-benzamido-2-hydroxy-3-phenylpropanoate
CID 102178448
(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-phenylpropanoic acid
CID 70650161

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid?
The IUPAC name of (2R,3S)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid (CID 15839659) is (2R,3S)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid.
What is the SMILES notation for (2R,3S)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid?
The canonical SMILES for (2R,3S)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid is O=C(N[C@@H](c1ccccc1)[C@@H](O)C(=O)O)OCc1ccccc1.
What is the InChIKey of (2R,3S)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid?
The InChIKey is ABMWXVIQDORZGH-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H17NO5/c19-15(16(20)21)14(13-9-5-2-6-10-13)18-17(22)23-11-12-7-3-1-4-8-12/h1-10,14-15,19H,11H2,(H,18,22)(H,20,21)/t14-,15+/m0/s1.
What are the key properties of (2R,3S)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid?
(2R,3S)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid has a molecular weight of 315.32 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid is sourced from PubChem (CID 15839659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).