(2S)-2-[(2,3-dimethylbenzoyl)amino]-2-phenylacetic acid

C17H17NO3 — CID 30123282

IUPAC(2S)-2-[(2,3-dimethylbenzoyl)amino]-2-phenylacetic acid
SMILESCc1cccc(C(=O)N[C@H](C(=O)O)c2ccccc2)c1C
InChIInChI=1S/C17H17NO3/c1-11-7-6-10-14(12(11)2)16(19)18-15(17(20)21)13-8-4-3-5-9-13/h3-10,15H,1-2H3,(H,18,19)(H,20,21)/t15-/m0/s1
InChIKeyYBMPSWWJAMLVLE-HNNXBMFYSA-N
MW283.33 g/mol
LogP2.86
Rot. Bonds4

About (2S)-2-[(2,3-dimethylbenzoyl)amino]-2-phenylacetic acid

(2S)-2-[(2,3-dimethylbenzoyl)amino]-2-phenylacetic acid (PubChem CID 30123282) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (2S)-2-[(2,3-dimethylbenzoyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[(2,3-dimethylbenzoyl)amino]-2-phenylacetic acid
PubChem CID30123282
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(2S)-2-[(2,3-dimethylbenzoyl)amino]-2-phenylacetic acid
SMILESCc1cccc(C(=O)N[C@H](C(=O)O)c2ccccc2)c1C
InChIInChI=1S/C17H17NO3/c1-11-7-6-10-14(12(11)2)16(19)18-15(17(20)21)13-8-4-3-5-9-13/h3-10,15H,1-2H3,(H,18,19)(H,20,21)/t15-/m0/s1
InChIKeyYBMPSWWJAMLVLE-HNNXBMFYSA-N
XLogP2.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[carboxy(phenyl)methyl]carbamoyl]benzoic acid
CID 90451481
N-[cyano(phenyl)methyl]-2,3-dimethylbenzamide
CID 60659253
(2S)-2-[(5-chloro-2-methylbenzoyl)amino]-2-phenylacetic acid
CID 104896991
N-[2-(dimethylamino)-1-phenylethyl]-2,3-dimethylbenzamide
CID 78819640
2-[(2,3-dimethylbenzoyl)amino]-3-phenylpropanoic acid
CID 16786218
N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,3-dimethylbenzamide
CID 11558867
(2R)-2-[[2-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid
CID 119367620
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-hydroxy-2-methylbenzamide
CID 82809158
(2R)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-phenylacetic acid
CID 62828688
(2R)-2-[(2,3-dimethylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107823072
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-fluoro-3-methylbenzamide
CID 81481274
N-[2-(dimethylamino)-3-hydroxy-2-methyl-1-phenylpropyl]-2,3-dimethylbenzamide
CID 59347868

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,3-dimethylbenzoyl)amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[(2,3-dimethylbenzoyl)amino]-2-phenylacetic acid (CID 30123282) is (2S)-2-[(2,3-dimethylbenzoyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[(2,3-dimethylbenzoyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[(2,3-dimethylbenzoyl)amino]-2-phenylacetic acid is Cc1cccc(C(=O)N[C@H](C(=O)O)c2ccccc2)c1C.
What is the InChIKey of (2S)-2-[(2,3-dimethylbenzoyl)amino]-2-phenylacetic acid?
The InChIKey is YBMPSWWJAMLVLE-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-11-7-6-10-14(12(11)2)16(19)18-15(17(20)21)13-8-4-3-5-9-13/h3-10,15H,1-2H3,(H,18,19)(H,20,21)/t15-/m0/s1.
What are the key properties of (2S)-2-[(2,3-dimethylbenzoyl)amino]-2-phenylacetic acid?
(2S)-2-[(2,3-dimethylbenzoyl)amino]-2-phenylacetic acid has a molecular weight of 283.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,3-dimethylbenzoyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 30123282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).