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

C16H15NO3 — CID 788098

IUPAC(3S)-3-benzamido-3-phenylpropanoic acid
SMILESO=C(O)C[C@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15NO3/c18-15(19)11-14(12-7-3-1-4-8-12)17-16(20)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,17,20)(H,18,19)/t14-/m0/s1
InChIKeyVRZBLYAGRWDUPY-AWEZNQCLSA-N
MW269.30 g/mol
LogP2.63
Rot. Bonds5

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

(3S)-3-benzamido-3-phenylpropanoic acid (PubChem CID 788098) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is (3S)-3-benzamido-3-phenylpropanoic acid.

Molecular Properties

Compound Name(3S)-3-benzamido-3-phenylpropanoic acid
PubChem CID788098
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name(3S)-3-benzamido-3-phenylpropanoic acid
SMILESO=C(O)C[C@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15NO3/c18-15(19)11-14(12-7-3-1-4-8-12)17-16(20)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,17,20)(H,18,19)/t14-/m0/s1
InChIKeyVRZBLYAGRWDUPY-AWEZNQCLSA-N
XLogP2.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzamido-3-phenylpropanoic acid
CID 2834576
(3R)-3-benzamido-3-(4-fluorophenyl)propanoic acid
CID 717556
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 40591318
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997
N-[(1S)-3-(ethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 94041793
3-[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]-3-phenylpropanoic acid
CID 119166883
(3R)-3-phenyl-3-[(4-propan-2-yloxybenzoyl)amino]propanoic acid
CID 40514082
S-ethyl 3-benzamido-3-phenylpropanethioate
CID 11758800
N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
3-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 4558174
N-[(1R)-3-[[(2R)-butan-2-yl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 29195709

Frequently Asked Questions

What is the IUPAC name of (3S)-3-benzamido-3-phenylpropanoic acid?
The IUPAC name of (3S)-3-benzamido-3-phenylpropanoic acid (CID 788098) is (3S)-3-benzamido-3-phenylpropanoic acid.
What is the SMILES notation for (3S)-3-benzamido-3-phenylpropanoic acid?
The canonical SMILES for (3S)-3-benzamido-3-phenylpropanoic acid is O=C(O)C[C@H](NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (3S)-3-benzamido-3-phenylpropanoic acid?
The InChIKey is VRZBLYAGRWDUPY-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H15NO3/c18-15(19)11-14(12-7-3-1-4-8-12)17-16(20)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,17,20)(H,18,19)/t14-/m0/s1.
What are the key properties of (3S)-3-benzamido-3-phenylpropanoic acid?
(3S)-3-benzamido-3-phenylpropanoic acid has a molecular weight of 269.30 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-benzamido-3-phenylpropanoic acid is sourced from PubChem (CID 788098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).