5-[(2-phenylacetyl)amino]benzene-1,3-dicarboxylic acid

C16H13NO5 — CID 1369682

IUPAC5-[(2-phenylacetyl)amino]benzene-1,3-dicarboxylic acid
SMILESO=C(Cc1ccccc1)Nc1cc(C(=O)O)cc(C(=O)O)c1
InChIInChI=1S/C16H13NO5/c18-14(6-10-4-2-1-3-5-10)17-13-8-11(15(19)20)7-12(9-13)16(21)22/h1-5,7-9H,6H2,(H,17,18)(H,19,20)(H,21,22)
InChIKeyULSUWEMSGVMQSC-UHFFFAOYSA-N
MW299.28 g/mol
LogP2.26
Rot. Bonds5

About 5-[(2-phenylacetyl)amino]benzene-1,3-dicarboxylic acid

5-[(2-phenylacetyl)amino]benzene-1,3-dicarboxylic acid (PubChem CID 1369682) has the molecular formula C16H13NO5 and a molecular weight of 299.28 g/mol. Its IUPAC name is 5-[(2-phenylacetyl)amino]benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-[(2-phenylacetyl)amino]benzene-1,3-dicarboxylic acid
PubChem CID1369682
Molecular FormulaC16H13NO5
Molecular Weight299.28 g/mol
Exact Mass299.08
IUPAC Name5-[(2-phenylacetyl)amino]benzene-1,3-dicarboxylic acid
SMILESO=C(Cc1ccccc1)Nc1cc(C(=O)O)cc(C(=O)O)c1
InChIInChI=1S/C16H13NO5/c18-14(6-10-4-2-1-3-5-10)17-13-8-11(15(19)20)7-12(9-13)16(21)22/h1-5,7-9H,6H2,(H,17,18)(H,19,20)(H,21,22)
InChIKeyULSUWEMSGVMQSC-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-[(2-phenylacetyl)amino]benzene-1,3-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl 5-[(2-phenylacetyl)amino]benzene-1,3-dicarboxylate
CID 668857
N-tert-butyl-3,5-bis[(2-phenylacetyl)amino]benzamide
CID 1370326
5-(3,3-diphenylpropanoylamino)benzene-1,3-dicarboxylic acid
CID 45428443
3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid
CID 17127022
5-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzene-1,3-dicarboxylic acid
CID 1248714
N-[4-[(2-phenylacetyl)amino]phenyl]propanamide
CID 1274275
N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenylacetamide
CID 46736705
N-[4-(tert-butylamino)phenyl]-2-phenylacetamide
CID 112984887
3-fluoro-4-[(2-phenylacetyl)amino]benzoic acid
CID 63190262
2-methyl-5-[(2-phenylacetyl)amino]benzoic acid
CID 63652253
5-(carboxyamino)benzene-1,3-dicarboxylic acid
CID 18974712
5-[[2-(2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid
CID 880340

Frequently Asked Questions

What is the IUPAC name of 5-[(2-phenylacetyl)amino]benzene-1,3-dicarboxylic acid?
The IUPAC name of 5-[(2-phenylacetyl)amino]benzene-1,3-dicarboxylic acid (CID 1369682) is 5-[(2-phenylacetyl)amino]benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-[(2-phenylacetyl)amino]benzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-[(2-phenylacetyl)amino]benzene-1,3-dicarboxylic acid is O=C(Cc1ccccc1)Nc1cc(C(=O)O)cc(C(=O)O)c1.
What is the InChIKey of 5-[(2-phenylacetyl)amino]benzene-1,3-dicarboxylic acid?
The InChIKey is ULSUWEMSGVMQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO5/c18-14(6-10-4-2-1-3-5-10)17-13-8-11(15(19)20)7-12(9-13)16(21)22/h1-5,7-9H,6H2,(H,17,18)(H,19,20)(H,21,22).
What are the key properties of 5-[(2-phenylacetyl)amino]benzene-1,3-dicarboxylic acid?
5-[(2-phenylacetyl)amino]benzene-1,3-dicarboxylic acid has a molecular weight of 299.28 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-phenylacetyl)amino]benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 1369682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).