2-benzamido-2-[4-(carboxymethyl)phenyl]acetic acid

C17H15NO5 — CID 19741702

IUPAC2-benzamido-2-[4-(carboxymethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(C(NC(=O)c2ccccc2)C(=O)O)cc1
InChIInChI=1S/C17H15NO5/c19-14(20)10-11-6-8-12(9-7-11)15(17(22)23)18-16(21)13-4-2-1-3-5-13/h1-9,15H,10H2,(H,18,21)(H,19,20)(H,22,23)
InChIKeyLBQRMAVRGOKFGI-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.87
Rot. Bonds6

About 2-benzamido-2-[4-(carboxymethyl)phenyl]acetic acid

2-benzamido-2-[4-(carboxymethyl)phenyl]acetic acid (PubChem CID 19741702) has the molecular formula C17H15NO5 and a molecular weight of 313.31 g/mol. Its IUPAC name is 2-benzamido-2-[4-(carboxymethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-benzamido-2-[4-(carboxymethyl)phenyl]acetic acid
PubChem CID19741702
Molecular FormulaC17H15NO5
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name2-benzamido-2-[4-(carboxymethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(C(NC(=O)c2ccccc2)C(=O)O)cc1
InChIInChI=1S/C17H15NO5/c19-14(20)10-11-6-8-12(9-7-11)15(17(22)23)18-16(21)13-4-2-1-3-5-13/h1-9,15H,10H2,(H,18,21)(H,19,20)(H,22,23)
InChIKeyLBQRMAVRGOKFGI-UHFFFAOYSA-N
XLogP1.87
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-phenyl-2-[(2-phenylacetyl)amino]acetic acid
CID 3049856
2-[[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]amino]-2-phenylacetic acid
CID 120518052
2-[(4-bromobenzoyl)amino]-2-phenylacetic acid
CID 16776362
2-[4-(benzamidomethyl)phenyl]acetic acid
CID 89464611
2-[(2-benzamidoacetyl)amino]-2-phenylacetic acid
CID 132917045
(2S)-2-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]benzoyl]amino]-2-phenylacetic acid
CID 124690072
(2S)-2-[(4-cyanobenzoyl)amino]-2-phenylacetic acid
CID 30112923
(2R)-2-[(3,5-dibromobenzoyl)amino]-2-phenylacetic acid
CID 107971317
calcium;hydride;2-phenylacetic acid
CID 173132712
N-(2-hydrazinyl-2-oxo-1-phenylethyl)benzamide
CID 4534244
(2R)-2-(furan-3-carbonylamino)-2-phenylacetic acid
CID 30049473
2-[[2-(4-acetamidophenyl)acetyl]amino]-2-phenylacetic acid
CID 108804747

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-2-[4-(carboxymethyl)phenyl]acetic acid?
The IUPAC name of 2-benzamido-2-[4-(carboxymethyl)phenyl]acetic acid (CID 19741702) is 2-benzamido-2-[4-(carboxymethyl)phenyl]acetic acid.
What is the SMILES notation for 2-benzamido-2-[4-(carboxymethyl)phenyl]acetic acid?
The canonical SMILES for 2-benzamido-2-[4-(carboxymethyl)phenyl]acetic acid is O=C(O)Cc1ccc(C(NC(=O)c2ccccc2)C(=O)O)cc1.
What is the InChIKey of 2-benzamido-2-[4-(carboxymethyl)phenyl]acetic acid?
The InChIKey is LBQRMAVRGOKFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5/c19-14(20)10-11-6-8-12(9-7-11)15(17(22)23)18-16(21)13-4-2-1-3-5-13/h1-9,15H,10H2,(H,18,21)(H,19,20)(H,22,23).
What are the key properties of 2-benzamido-2-[4-(carboxymethyl)phenyl]acetic acid?
2-benzamido-2-[4-(carboxymethyl)phenyl]acetic acid has a molecular weight of 313.31 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-2-[4-(carboxymethyl)phenyl]acetic acid is sourced from PubChem (CID 19741702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).