(2R,3S)-3-benzamido-3-phenyl-2-phosphanyloxypropanoic acid

C16H16NO4P — CID 71168164

IUPAC(2R,3S)-3-benzamido-3-phenyl-2-phosphanyloxypropanoic acid
SMILESO=C(N[C@@H](c1ccccc1)[C@@H](OP)C(=O)O)c1ccccc1
InChIInChI=1S/C16H16NO4P/c18-15(12-9-5-2-6-10-12)17-13(14(21-22)16(19)20)11-7-3-1-4-8-11/h1-10,13-14H,22H2,(H,17,18)(H,19,20)/t13-,14+/m0/s1
InChIKeyCQBFXIPWOJIFJB-UONOGXRCSA-N
MW317.28 g/mol
LogP2.42
Rot. Bonds6

About (2R,3S)-3-benzamido-3-phenyl-2-phosphanyloxypropanoic acid

(2R,3S)-3-benzamido-3-phenyl-2-phosphanyloxypropanoic acid (PubChem CID 71168164) has the molecular formula C16H16NO4P and a molecular weight of 317.28 g/mol. Its IUPAC name is (2R,3S)-3-benzamido-3-phenyl-2-phosphanyloxypropanoic acid.

Molecular Properties

Compound Name(2R,3S)-3-benzamido-3-phenyl-2-phosphanyloxypropanoic acid
PubChem CID71168164
Molecular FormulaC16H16NO4P
Molecular Weight317.28 g/mol
Exact Mass317.08
IUPAC Name(2R,3S)-3-benzamido-3-phenyl-2-phosphanyloxypropanoic acid
SMILESO=C(N[C@@H](c1ccccc1)[C@@H](OP)C(=O)O)c1ccccc1
InChIInChI=1S/C16H16NO4P/c18-15(12-9-5-2-6-10-12)17-13(14(21-22)16(19)20)11-7-3-1-4-8-11/h1-10,13-14H,22H2,(H,17,18)(H,19,20)/t13-,14+/m0/s1
InChIKeyCQBFXIPWOJIFJB-UONOGXRCSA-N
XLogP2.42
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.28
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-benzamido-2-hydroxy-3-phenylpropanoic acid;hydrochloride
CID 175045736
(2R)-3-benzamido-2-(1-ethoxyethoxy)-3-phenylpropanoic acid
CID 59033473
methyl (2S,3S)-2-acetyloxy-3-benzamido-3-phenylpropanoate
CID 11110608
N-[(1S,2R)-2-hydroxy-1-phenylpropyl]benzamide
CID 6934600
N-[(1R)-2-acetyl-3-oxo-1-phenylbutyl]benzamide
CID 11587624
(2S,3R)-3-benzamido-2-hydroxy-3-phenylpropanethioic S-acid
CID 18660976
N-(2,3-dihydroxy-1-phenylpropyl)benzamide
CID 14650575
N-(2-hydroxy-3-oxo-1-phenylbutyl)benzamide
CID 71218694
N-[(1S,2R)-2-hydroxy-1-phenylbut-3-enyl]benzamide
CID 57161994
N-[(1R,2S,3R)-3-hydroxy-2-methyl-1,3-diphenylpropyl]benzamide
CID 134903315
2,2-dibenzamidoacetic acid
CID 12521150
benzyl (2R)-3-benzamido-2-hydroxy-3-phenylpropanoate
CID 102178448

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-benzamido-3-phenyl-2-phosphanyloxypropanoic acid?
The IUPAC name of (2R,3S)-3-benzamido-3-phenyl-2-phosphanyloxypropanoic acid (CID 71168164) is (2R,3S)-3-benzamido-3-phenyl-2-phosphanyloxypropanoic acid.
What is the SMILES notation for (2R,3S)-3-benzamido-3-phenyl-2-phosphanyloxypropanoic acid?
The canonical SMILES for (2R,3S)-3-benzamido-3-phenyl-2-phosphanyloxypropanoic acid is O=C(N[C@@H](c1ccccc1)[C@@H](OP)C(=O)O)c1ccccc1.
What is the InChIKey of (2R,3S)-3-benzamido-3-phenyl-2-phosphanyloxypropanoic acid?
The InChIKey is CQBFXIPWOJIFJB-UONOGXRCSA-N. The full InChI is InChI=1S/C16H16NO4P/c18-15(12-9-5-2-6-10-12)17-13(14(21-22)16(19)20)11-7-3-1-4-8-11/h1-10,13-14H,22H2,(H,17,18)(H,19,20)/t13-,14+/m0/s1.
What are the key properties of (2R,3S)-3-benzamido-3-phenyl-2-phosphanyloxypropanoic acid?
(2R,3S)-3-benzamido-3-phenyl-2-phosphanyloxypropanoic acid has a molecular weight of 317.28 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-benzamido-3-phenyl-2-phosphanyloxypropanoic acid is sourced from PubChem (CID 71168164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).