(2S)-2-[(4-hydroxy-3-methylbenzoyl)amino]-2-phenylacetic acid

C16H15NO4 — CID 107675151

IUPAC(2S)-2-[(4-hydroxy-3-methylbenzoyl)amino]-2-phenylacetic acid
SMILESCc1cc(C(=O)N[C@H](C(=O)O)c2ccccc2)ccc1O
InChIInChI=1S/C16H15NO4/c1-10-9-12(7-8-13(10)18)15(19)17-14(16(20)21)11-5-3-2-4-6-11/h2-9,14,18H,1H3,(H,17,19)(H,20,21)/t14-/m0/s1
InChIKeyBJSSKWHVIVETTR-AWEZNQCLSA-N
MW285.30 g/mol
LogP2.26
Rot. Bonds4

About (2S)-2-[(4-hydroxy-3-methylbenzoyl)amino]-2-phenylacetic acid

(2S)-2-[(4-hydroxy-3-methylbenzoyl)amino]-2-phenylacetic acid (PubChem CID 107675151) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is (2S)-2-[(4-hydroxy-3-methylbenzoyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[(4-hydroxy-3-methylbenzoyl)amino]-2-phenylacetic acid
PubChem CID107675151
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name(2S)-2-[(4-hydroxy-3-methylbenzoyl)amino]-2-phenylacetic acid
SMILESCc1cc(C(=O)N[C@H](C(=O)O)c2ccccc2)ccc1O
InChIInChI=1S/C16H15NO4/c1-10-9-12(7-8-13(10)18)15(19)17-14(16(20)21)11-5-3-2-4-6-11/h2-9,14,18H,1H3,(H,17,19)(H,20,21)/t14-/m0/s1
InChIKeyBJSSKWHVIVETTR-AWEZNQCLSA-N
XLogP2.26
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-chloro-3-methylbenzoyl)amino]-2-phenylacetic acid
CID 103804548
(2S)-2-[(3-chloro-4-hydroxybenzoyl)amino]-2-phenylacetic acid
CID 29046743
(2S)-2-[(3-fluoro-4-methylbenzoyl)amino]-2-phenylacetic acid
CID 30045725
4-hydroxy-N-[(1R)-2-methoxy-1-phenylethyl]-3-methylbenzamide
CID 143001995
2-[(2-methylpyridine-4-carbonyl)amino]-2-phenylacetic acid
CID 106752480
N-benzhydryl-3,4-dimethylbenzamide
CID 1219840
2-[(3-amino-4-chlorobenzoyl)amino]-2-phenylacetic acid
CID 61157313
2-[(4-bromobenzoyl)amino]-2-phenylacetic acid
CID 16776362
2-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 107674632
(2S)-2-[(2-chloropyridine-4-carbonyl)amino]-2-phenylacetic acid
CID 103804574
2-[(3-bromo-4-fluorobenzoyl)amino]-2-phenylacetic acid
CID 103790488
(2R)-2-[(3,5-dibromobenzoyl)amino]-2-phenylacetic acid
CID 107971317

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-hydroxy-3-methylbenzoyl)amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[(4-hydroxy-3-methylbenzoyl)amino]-2-phenylacetic acid (CID 107675151) is (2S)-2-[(4-hydroxy-3-methylbenzoyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[(4-hydroxy-3-methylbenzoyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[(4-hydroxy-3-methylbenzoyl)amino]-2-phenylacetic acid is Cc1cc(C(=O)N[C@H](C(=O)O)c2ccccc2)ccc1O.
What is the InChIKey of (2S)-2-[(4-hydroxy-3-methylbenzoyl)amino]-2-phenylacetic acid?
The InChIKey is BJSSKWHVIVETTR-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H15NO4/c1-10-9-12(7-8-13(10)18)15(19)17-14(16(20)21)11-5-3-2-4-6-11/h2-9,14,18H,1H3,(H,17,19)(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-2-[(4-hydroxy-3-methylbenzoyl)amino]-2-phenylacetic acid?
(2S)-2-[(4-hydroxy-3-methylbenzoyl)amino]-2-phenylacetic acid has a molecular weight of 285.30 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-hydroxy-3-methylbenzoyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 107675151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).