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

C16H15NO3 — CID 10967539

IUPAC(2S)-2-benzamido-2-phenylpropanoic acid
SMILESC[C@@](NC(=O)c1ccccc1)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H15NO3/c1-16(15(19)20,13-10-6-3-7-11-13)17-14(18)12-8-4-2-5-9-12/h2-11H,1H3,(H,17,18)(H,19,20)/t16-/m0/s1
InChIKeySLYIYEFSLJIESS-INIZCTEOSA-N
MW269.30 g/mol
LogP2.42
Rot. Bonds4

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

(2S)-2-benzamido-2-phenylpropanoic acid (PubChem CID 10967539) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is (2S)-2-benzamido-2-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-benzamido-2-phenylpropanoic acid
PubChem CID10967539
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name(2S)-2-benzamido-2-phenylpropanoic acid
SMILESC[C@@](NC(=O)c1ccccc1)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H15NO3/c1-16(15(19)20,13-10-6-3-7-11-13)17-14(18)12-8-4-2-5-9-12/h2-11H,1H3,(H,17,18)(H,19,20)/t16-/m0/s1
InChIKeySLYIYEFSLJIESS-INIZCTEOSA-N
XLogP2.42
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Benzoyl-L-phenylalanine
CID 97370
N-benzoyl-phenylalanine methyl ester
CID 569674
N-Acetyl-DL-phenylglycine
CID 85935
N-Benzoyl-DL-phenylalanine
CID 273362
2-Phenyl-2-(phenylformamido)acetic acid
CID 4422109
2-[3-methyl-2-(2-methylprop-1-en-1-yl)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid
CID 25160672
2-Benzamido-3-cyclohexylpropanoic acid
CID 10333607
Phenylalanine, alpha-phenyl-
CID 3044031
Diphenylhydantoic acid
CID 134613
N-Benzoyl-2-methylalanine
CID 257223
3-Benzoylamino-3-phenyl-propionic acid
CID 2834576
N-{3-methyl-2-[(phenylcarbonyl)amino]but-2-enoyl}phenylalanine
CID 3470244

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzamido-2-phenylpropanoic acid?
The IUPAC name of (2S)-2-benzamido-2-phenylpropanoic acid (CID 10967539) is (2S)-2-benzamido-2-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-benzamido-2-phenylpropanoic acid?
The canonical SMILES for (2S)-2-benzamido-2-phenylpropanoic acid is C[C@@](NC(=O)c1ccccc1)(C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-benzamido-2-phenylpropanoic acid?
The InChIKey is SLYIYEFSLJIESS-INIZCTEOSA-N. The full InChI is InChI=1S/C16H15NO3/c1-16(15(19)20,13-10-6-3-7-11-13)17-14(18)12-8-4-2-5-9-12/h2-11H,1H3,(H,17,18)(H,19,20)/t16-/m0/s1.
What are the key properties of (2S)-2-benzamido-2-phenylpropanoic acid?
(2S)-2-benzamido-2-phenylpropanoic acid has a molecular weight of 269.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzamido-2-phenylpropanoic acid is sourced from PubChem (CID 10967539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).