3-[2-carboxyethyl(cyclopropanecarbonyl)amino]benzoic acid

C14H15NO5 — CID 82321208

IUPAC3-[2-carboxyethyl(cyclopropanecarbonyl)amino]benzoic acid
SMILESO=C(O)CCN(C(=O)C1CC1)c1cccc(C(=O)O)c1
InChIInChI=1S/C14H15NO5/c16-12(17)6-7-15(13(18)9-4-5-9)11-3-1-2-10(8-11)14(19)20/h1-3,8-9H,4-7H2,(H,16,17)(H,19,20)
InChIKeyNIMYHCIRBCSOHV-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.60
Rot. Bonds6

About 3-[2-carboxyethyl(cyclopropanecarbonyl)amino]benzoic acid

3-[2-carboxyethyl(cyclopropanecarbonyl)amino]benzoic acid (PubChem CID 82321208) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is 3-[2-carboxyethyl(cyclopropanecarbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[2-carboxyethyl(cyclopropanecarbonyl)amino]benzoic acid
PubChem CID82321208
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name3-[2-carboxyethyl(cyclopropanecarbonyl)amino]benzoic acid
SMILESO=C(O)CCN(C(=O)C1CC1)c1cccc(C(=O)O)c1
InChIInChI=1S/C14H15NO5/c16-12(17)6-7-15(13(18)9-4-5-9)11-3-1-2-10(8-11)14(19)20/h1-3,8-9H,4-7H2,(H,16,17)(H,19,20)
InChIKeyNIMYHCIRBCSOHV-UHFFFAOYSA-N
XLogP1.60
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-carboxyethyl(cyclopropanecarbonyl)amino]benzoic 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

3-(N-(4-aminocyclohexanecarbonyl)anilino)propanoic acid
CID 61159722
3-[2-carboxyethyl(2,2-dimethylpropanoyl)amino]benzoic acid
CID 82321079
3-[N-(cyclopropanecarbonyl)-2-fluoroanilino]propanoic acid
CID 28764280
3-[N-(piperidine-3-carbonyl)anilino]propanoic acid
CID 61160684
3-(N-(3-aminocyclohexanecarbonyl)anilino)propanoic acid
CID 63046094
3-[[2-carboxyethyl(cyclopropyl)amino]methyl]benzoic acid
CID 82327896
3-(N-[(2R)-oxolane-2-carbonyl]anilino)propanoic acid
CID 93332713
N-(3-amino-3-sulfanylidenepropyl)-N-phenylcyclobutanecarboxamide
CID 24695589
3-(3-fluoro-N-(3-fluorobenzoyl)anilino)propanoic acid
CID 82321619
N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119311457
3-[3-acetyl-N-(3-methylbutanoyl)anilino]propanoic acid
CID 82321334
3-[N-(cyclobutanecarbonyl)-2-methylanilino]propanoic acid
CID 60831633

Frequently Asked Questions

What is the IUPAC name of 3-[2-carboxyethyl(cyclopropanecarbonyl)amino]benzoic acid?
The IUPAC name of 3-[2-carboxyethyl(cyclopropanecarbonyl)amino]benzoic acid (CID 82321208) is 3-[2-carboxyethyl(cyclopropanecarbonyl)amino]benzoic acid.
What is the SMILES notation for 3-[2-carboxyethyl(cyclopropanecarbonyl)amino]benzoic acid?
The canonical SMILES for 3-[2-carboxyethyl(cyclopropanecarbonyl)amino]benzoic acid is O=C(O)CCN(C(=O)C1CC1)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-[2-carboxyethyl(cyclopropanecarbonyl)amino]benzoic acid?
The InChIKey is NIMYHCIRBCSOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c16-12(17)6-7-15(13(18)9-4-5-9)11-3-1-2-10(8-11)14(19)20/h1-3,8-9H,4-7H2,(H,16,17)(H,19,20).
What are the key properties of 3-[2-carboxyethyl(cyclopropanecarbonyl)amino]benzoic acid?
3-[2-carboxyethyl(cyclopropanecarbonyl)amino]benzoic acid has a molecular weight of 277.28 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-carboxyethyl(cyclopropanecarbonyl)amino]benzoic acid is sourced from PubChem (CID 82321208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).