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

C16H15NO4 — CID 2762289

IUPAC(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoic acid
SMILESO=C(N[C@@H](c1ccccc1)[C@@H](O)C(=O)O)c1ccccc1
InChIInChI=1S/C16H15NO4/c18-14(16(20)21)13(11-7-3-1-4-8-11)17-15(19)12-9-5-2-6-10-12/h1-10,13-14,18H,(H,17,19)(H,20,21)/t13-,14+/m0/s1
InChIKeyHYJVYOWKYPNSTK-UONOGXRCSA-N
MW285.30 g/mol
LogP1.60
Rot. Bonds5

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

(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoic acid (PubChem CID 2762289) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoic acid
PubChem CID2762289
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoic acid
SMILESO=C(N[C@@H](c1ccccc1)[C@@H](O)C(=O)O)c1ccccc1
InChIInChI=1S/C16H15NO4/c18-14(16(20)21)13(11-7-3-1-4-8-11)17-15(19)12-9-5-2-6-10-12/h1-10,13-14,18H,(H,17,19)(H,20,21)/t13-,14+/m0/s1
InChIKeyHYJVYOWKYPNSTK-UONOGXRCSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoic acid?
The IUPAC name of (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoic acid (CID 2762289) is (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoic acid.
What is the SMILES notation for (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoic acid?
The canonical SMILES for (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoic acid is O=C(N[C@@H](c1ccccc1)[C@@H](O)C(=O)O)c1ccccc1.
What is the InChIKey of (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoic acid?
The InChIKey is HYJVYOWKYPNSTK-UONOGXRCSA-N. The full InChI is InChI=1S/C16H15NO4/c18-14(16(20)21)13(11-7-3-1-4-8-11)17-15(19)12-9-5-2-6-10-12/h1-10,13-14,18H,(H,17,19)(H,20,21)/t13-,14+/m0/s1.
What are the key properties of (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoic acid?
(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoic acid has a molecular weight of 285.30 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoic acid is sourced from PubChem (CID 2762289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).