2-[[carboxy(phenyl)methyl]carbamoyl]benzoic acid

C16H13NO5 — CID 90451481

IUPAC2-[[carboxy(phenyl)methyl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C16H13NO5/c18-14(11-8-4-5-9-12(11)15(19)20)17-13(16(21)22)10-6-2-1-3-7-10/h1-9,13H,(H,17,18)(H,19,20)(H,21,22)
InChIKeyFHHUCCZXAYSNPY-UHFFFAOYSA-N
MW299.28 g/mol
LogP1.94
Rot. Bonds5

About 2-[[carboxy(phenyl)methyl]carbamoyl]benzoic acid

2-[[carboxy(phenyl)methyl]carbamoyl]benzoic acid (PubChem CID 90451481) has the molecular formula C16H13NO5 and a molecular weight of 299.28 g/mol. Its IUPAC name is 2-[[carboxy(phenyl)methyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[carboxy(phenyl)methyl]carbamoyl]benzoic acid
PubChem CID90451481
Molecular FormulaC16H13NO5
Molecular Weight299.28 g/mol
Exact Mass299.08
IUPAC Name2-[[carboxy(phenyl)methyl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C16H13NO5/c18-14(11-8-4-5-9-12(11)15(19)20)17-13(16(21)22)10-6-2-1-3-7-10/h1-9,13H,(H,17,18)(H,19,20)(H,21,22)
InChIKeyFHHUCCZXAYSNPY-UHFFFAOYSA-N
XLogP1.94
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2,3-dimethylbenzoyl)amino]-2-phenylacetic acid
CID 30123282
2-phenyl-2-[[2-(phenyldisulfanyl)benzoyl]amino]acetic acid
CID 140977661
methyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate
CID 26791246
2-[(2,4-dibromobenzoyl)amino]-2-phenylacetic acid
CID 107938463
2-[(2,4-difluorobenzoyl)amino]-2-phenylacetic acid
CID 16771570
2-[(2-hydroxy-5-iodobenzoyl)amino]-2-phenylacetic acid
CID 107731230
(2R)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-phenylacetic acid
CID 62828688
(2S)-2-[(5-chloro-2-methylbenzoyl)amino]-2-phenylacetic acid
CID 104896991
CID 66717184
CID 66717184
2-[(2,6-dichlorobenzoyl)amino]-2-phenylacetic acid
CID 43079894
2-[(4-bromobenzoyl)amino]-2-phenylacetic acid
CID 16776362
(2R)-2-[[2-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid
CID 119367620

Frequently Asked Questions

What is the IUPAC name of 2-[[carboxy(phenyl)methyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[carboxy(phenyl)methyl]carbamoyl]benzoic acid (CID 90451481) is 2-[[carboxy(phenyl)methyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[carboxy(phenyl)methyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[carboxy(phenyl)methyl]carbamoyl]benzoic acid is O=C(O)c1ccccc1C(=O)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[carboxy(phenyl)methyl]carbamoyl]benzoic acid?
The InChIKey is FHHUCCZXAYSNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO5/c18-14(11-8-4-5-9-12(11)15(19)20)17-13(16(21)22)10-6-2-1-3-7-10/h1-9,13H,(H,17,18)(H,19,20)(H,21,22).
What are the key properties of 2-[[carboxy(phenyl)methyl]carbamoyl]benzoic acid?
2-[[carboxy(phenyl)methyl]carbamoyl]benzoic acid has a molecular weight of 299.28 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[carboxy(phenyl)methyl]carbamoyl]benzoic acid is sourced from PubChem (CID 90451481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).