2-[(2,3-dimethylbenzoyl)amino]-3-phenylpropanoic acid

C18H19NO3 — CID 16786218

IUPAC2-[(2,3-dimethylbenzoyl)amino]-3-phenylpropanoic acid
SMILESCc1cccc(C(=O)NC(Cc2ccccc2)C(=O)O)c1C
InChIInChI=1S/C18H19NO3/c1-12-7-6-10-15(13(12)2)17(20)19-16(18(21)22)11-14-8-4-3-5-9-14/h3-10,16H,11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeySJXJUXQBUAIPMA-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.73
Rot. Bonds5

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

2-[(2,3-dimethylbenzoyl)amino]-3-phenylpropanoic acid (PubChem CID 16786218) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-[(2,3-dimethylbenzoyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(2,3-dimethylbenzoyl)amino]-3-phenylpropanoic acid
PubChem CID16786218
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2-[(2,3-dimethylbenzoyl)amino]-3-phenylpropanoic acid
SMILESCc1cccc(C(=O)NC(Cc2ccccc2)C(=O)O)c1C
InChIInChI=1S/C18H19NO3/c1-12-7-6-10-15(13(12)2)17(20)19-16(18(21)22)11-14-8-4-3-5-9-14/h3-10,16H,11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeySJXJUXQBUAIPMA-UHFFFAOYSA-N
XLogP2.73
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

acetyl chloride;2-[(2-methylbenzoyl)amino]-3-phenylpropanoic acid
CID 174997492
(2R)-2-[(2,3-dimethylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107823072
N-(1-amino-3-phenylpropan-2-yl)-2,3-dimethylbenzamide
CID 63755410
2-[[(1R)-1-carboxy-2-phenylethyl]carbamoyl]benzoic acid
CID 149148944
4-[(2,3-dimethylbenzoyl)amino]-5-phenylpentanoic acid
CID 120547076
2-[(2-methylbenzoyl)amino]-3-pyridin-3-ylpropanoic acid
CID 166310358
methyl 2-[(2-methylbenzoyl)amino]-3-phenylpropanoate
CID 3350942
(2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-3-phenylpropanoic acid
CID 801853
2-[(9-oxofluorene-4-carbonyl)amino]-3-phenylpropanoic acid
CID 4908821
(2S)-2-[(2,3-dimethylbenzoyl)amino]-2-phenylacetic acid
CID 30123282
(2S)-2-[(2-methylbenzoyl)amino]butanedioic acid
CID 15342112
(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 30075662

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylbenzoyl)amino]-3-phenylpropanoic acid?
The IUPAC name of 2-[(2,3-dimethylbenzoyl)amino]-3-phenylpropanoic acid (CID 16786218) is 2-[(2,3-dimethylbenzoyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[(2,3-dimethylbenzoyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[(2,3-dimethylbenzoyl)amino]-3-phenylpropanoic acid is Cc1cccc(C(=O)NC(Cc2ccccc2)C(=O)O)c1C.
What is the InChIKey of 2-[(2,3-dimethylbenzoyl)amino]-3-phenylpropanoic acid?
The InChIKey is SJXJUXQBUAIPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-12-7-6-10-15(13(12)2)17(20)19-16(18(21)22)11-14-8-4-3-5-9-14/h3-10,16H,11H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 2-[(2,3-dimethylbenzoyl)amino]-3-phenylpropanoic acid?
2-[(2,3-dimethylbenzoyl)amino]-3-phenylpropanoic acid has a molecular weight of 297.35 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylbenzoyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 16786218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).