3-[(3-carbamoylbenzoyl)-ethylamino]propanoic acid

C13H16N2O4 — CID 61006679

IUPAC3-[(3-carbamoylbenzoyl)-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C13H16N2O4/c1-2-15(7-6-11(16)17)13(19)10-5-3-4-9(8-10)12(14)18/h3-5,8H,2,6-7H2,1H3,(H2,14,18)(H,16,17)
InChIKeyHPHPGKLWGHSRGV-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.72
Rot. Bonds6

About 3-[(3-carbamoylbenzoyl)-ethylamino]propanoic acid

3-[(3-carbamoylbenzoyl)-ethylamino]propanoic acid (PubChem CID 61006679) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-[(3-carbamoylbenzoyl)-ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[(3-carbamoylbenzoyl)-ethylamino]propanoic acid
PubChem CID61006679
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name3-[(3-carbamoylbenzoyl)-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C13H16N2O4/c1-2-15(7-6-11(16)17)13(19)10-5-3-4-9(8-10)12(14)18/h3-5,8H,2,6-7H2,1H3,(H2,14,18)(H,16,17)
InChIKeyHPHPGKLWGHSRGV-UHFFFAOYSA-N
XLogP0.72
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(3-carbamoylbenzoyl)-ethylamino]propanoic 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-[[4-(diethylcarbamoyl)benzoyl]-ethylamino]propanoic acid
CID 120685979
3-[ethyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]propanoic acid
CID 119190959
3-N,3-N-didodecylbenzene-1,3-dicarboxamide
CID 70541618
benzene-1,3-dicarboxamide;hexanedioic acid
CID 175137558
N-ethyl-3-[(Z)-N'-hydroxycarbamimidoyl]-N-propylbenzamide
CID 43269064
3-[ethyl-[3-(prop-2-enylsulfamoyl)benzoyl]amino]propanoic acid
CID 119191062
3-[(4-bromobenzoyl)-ethylamino]propanoic acid
CID 61007317
3-[ethyl-(4-fluorobenzoyl)amino]propanoic acid
CID 61006685
3-[carboxymethyl-(3-methylbenzoyl)amino]propanoic acid
CID 82324641
3-[(3-chlorobenzoyl)-[2-(dimethylamino)ethyl]amino]propanoic acid
CID 82325352
3-[[3-(cyclopentylsulfamoyl)benzoyl]-ethylamino]propanoic acid
CID 119191474
3-[ethyl-(3-methoxy-4-methylbenzoyl)amino]propanoic acid
CID 54898498

Frequently Asked Questions

What is the IUPAC name of 3-[(3-carbamoylbenzoyl)-ethylamino]propanoic acid?
The IUPAC name of 3-[(3-carbamoylbenzoyl)-ethylamino]propanoic acid (CID 61006679) is 3-[(3-carbamoylbenzoyl)-ethylamino]propanoic acid.
What is the SMILES notation for 3-[(3-carbamoylbenzoyl)-ethylamino]propanoic acid?
The canonical SMILES for 3-[(3-carbamoylbenzoyl)-ethylamino]propanoic acid is CCN(CCC(=O)O)C(=O)c1cccc(C(N)=O)c1.
What is the InChIKey of 3-[(3-carbamoylbenzoyl)-ethylamino]propanoic acid?
The InChIKey is HPHPGKLWGHSRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-2-15(7-6-11(16)17)13(19)10-5-3-4-9(8-10)12(14)18/h3-5,8H,2,6-7H2,1H3,(H2,14,18)(H,16,17).
What are the key properties of 3-[(3-carbamoylbenzoyl)-ethylamino]propanoic acid?
3-[(3-carbamoylbenzoyl)-ethylamino]propanoic acid has a molecular weight of 264.28 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-carbamoylbenzoyl)-ethylamino]propanoic acid is sourced from PubChem (CID 61006679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).