(2S)-2-benzamido-3-hydroxy-2-phenylpropanoic acid

C16H15NO4 — CID 57143055

IUPAC(2S)-2-benzamido-3-hydroxy-2-phenylpropanoic acid
SMILESO=C(N[C@@](CO)(C(=O)O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15NO4/c18-11-16(15(20)21,13-9-5-2-6-10-13)17-14(19)12-7-3-1-4-8-12/h1-10,18H,11H2,(H,17,19)(H,20,21)/t16-/m1/s1
InChIKeyKSAKWKHUQSFMGW-MRXNPFEDSA-N
MW285.30 g/mol
LogP1.39
Rot. Bonds5

About (2S)-2-benzamido-3-hydroxy-2-phenylpropanoic acid

(2S)-2-benzamido-3-hydroxy-2-phenylpropanoic acid (PubChem CID 57143055) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is (2S)-2-benzamido-3-hydroxy-2-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-benzamido-3-hydroxy-2-phenylpropanoic acid
PubChem CID57143055
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name(2S)-2-benzamido-3-hydroxy-2-phenylpropanoic acid
SMILESO=C(N[C@@](CO)(C(=O)O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15NO4/c18-11-16(15(20)21,13-9-5-2-6-10-13)17-14(19)12-7-3-1-4-8-12/h1-10,18H,11H2,(H,17,19)(H,20,21)/t16-/m1/s1
InChIKeyKSAKWKHUQSFMGW-MRXNPFEDSA-N
XLogP1.39
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzamido-3-diphenylphosphoryl-2-phenylpropanoic acid
CID 162406679
(2S)-2-benzamido-2-phenylpropanoic acid
CID 10967539
N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 55209778
(2S)-2-acetamido-3-hydroxy-2-(4-phenylmethoxyphenyl)propanoic acid
CID 57129486
(2S)-2-[[3-(methylsulfonylmethyl)benzoyl]amino]-2-phenylbutanoic acid
CID 97233913
methyl (2S)-2-benzamido-3-hydroxy-2-methylpropanoate
CID 102152083
N-[(2S)-3-oxo-2-phenylbutan-2-yl]benzamide
CID 101078744
2-[(1-tert-butylpyrazole-4-carbonyl)amino]-2-phenylbutanoic acid
CID 119201684
N-(4-methyl-2-phenylpentan-2-yl)benzamide
CID 91484527
3-benzamido-2,2,3-trimethylbutanoic acid
CID 65261450
2-[[4-(oxan-4-yloxy)benzoyl]amino]-2-phenylbutanoic acid
CID 119202072
(2R)-2-benzamido-2-(hydroxymethyl)-3-methylbutanoate
CID 7010089

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzamido-3-hydroxy-2-phenylpropanoic acid?
The IUPAC name of (2S)-2-benzamido-3-hydroxy-2-phenylpropanoic acid (CID 57143055) is (2S)-2-benzamido-3-hydroxy-2-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-benzamido-3-hydroxy-2-phenylpropanoic acid?
The canonical SMILES for (2S)-2-benzamido-3-hydroxy-2-phenylpropanoic acid is O=C(N[C@@](CO)(C(=O)O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-benzamido-3-hydroxy-2-phenylpropanoic acid?
The InChIKey is KSAKWKHUQSFMGW-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H15NO4/c18-11-16(15(20)21,13-9-5-2-6-10-13)17-14(19)12-7-3-1-4-8-12/h1-10,18H,11H2,(H,17,19)(H,20,21)/t16-/m1/s1.
What are the key properties of (2S)-2-benzamido-3-hydroxy-2-phenylpropanoic acid?
(2S)-2-benzamido-3-hydroxy-2-phenylpropanoic acid has a molecular weight of 285.30 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzamido-3-hydroxy-2-phenylpropanoic acid is sourced from PubChem (CID 57143055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).