3-[(4-prop-1-enylbenzoyl)amino]propanoic acid

C13H15NO3 — CID 91596650

IUPAC3-[(4-prop-1-enylbenzoyl)amino]propanoic acid
SMILESCC=Cc1ccc(C(=O)NCCC(=O)O)cc1
InChIInChI=1S/C13H15NO3/c1-2-3-10-4-6-11(7-5-10)13(17)14-9-8-12(15)16/h2-7H,8-9H2,1H3,(H,14,17)(H,15,16)
InChIKeyNMTKHWWBFKKMPD-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.92
Rot. Bonds5

About 3-[(4-prop-1-enylbenzoyl)amino]propanoic acid

3-[(4-prop-1-enylbenzoyl)amino]propanoic acid (PubChem CID 91596650) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-[(4-prop-1-enylbenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(4-prop-1-enylbenzoyl)amino]propanoic acid
PubChem CID91596650
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name3-[(4-prop-1-enylbenzoyl)amino]propanoic acid
SMILESCC=Cc1ccc(C(=O)NCCC(=O)O)cc1
InChIInChI=1S/C13H15NO3/c1-2-3-10-4-6-11(7-5-10)13(17)14-9-8-12(15)16/h2-7H,8-9H2,1H3,(H,14,17)(H,15,16)
InChIKeyNMTKHWWBFKKMPD-UHFFFAOYSA-N
XLogP1.92
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(4-prop-1-enylbenzoyl)amino]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-(methylamino)benzoyl]amino]propanoic acid
CID 119092205
4-[[4-[(E)-prop-1-enyl]benzoyl]amino]butyl carbamate
CID 175229958
4-[[4-[(E)-prop-1-enyl]benzoyl]amino]butyl (E)-2-methylbut-2-enoate
CID 175229978
4-[[4-[(E)-dec-1-enyl]benzoyl]amino]butanoic acid
CID 70541790
4-[(Z)-prop-1-enyl]benzoic acid
CID 70130780
4-[[(E)-pent-3-enyl]carbamoyl]benzoic acid
CID 115910429
N-(3-hydroxypropyl)-4-[2-[4-(3-hydroxypropylcarbamoyl)phenyl]ethenyl]benzamide
CID 71357848
1-N,4-N-bis(but-2-enyl)benzene-1,4-dicarboxamide
CID 54039627
4-(3-carboxypropylcarbamoyl)benzoic acid
CID 119112063
bis(3-benzamidopropanoic acid);piperazine
CID 3045072
5-[(4-acetylbenzoyl)amino]pentanoic acid
CID 119234275
(E)-3-[4-(ethylcarbamoyl)phenyl]prop-2-enoic acid
CID 22113252

Frequently Asked Questions

What is the IUPAC name of 3-[(4-prop-1-enylbenzoyl)amino]propanoic acid?
The IUPAC name of 3-[(4-prop-1-enylbenzoyl)amino]propanoic acid (CID 91596650) is 3-[(4-prop-1-enylbenzoyl)amino]propanoic acid.
What is the SMILES notation for 3-[(4-prop-1-enylbenzoyl)amino]propanoic acid?
The canonical SMILES for 3-[(4-prop-1-enylbenzoyl)amino]propanoic acid is CC=Cc1ccc(C(=O)NCCC(=O)O)cc1.
What is the InChIKey of 3-[(4-prop-1-enylbenzoyl)amino]propanoic acid?
The InChIKey is NMTKHWWBFKKMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-2-3-10-4-6-11(7-5-10)13(17)14-9-8-12(15)16/h2-7H,8-9H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 3-[(4-prop-1-enylbenzoyl)amino]propanoic acid?
3-[(4-prop-1-enylbenzoyl)amino]propanoic acid has a molecular weight of 233.27 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-prop-1-enylbenzoyl)amino]propanoic acid is sourced from PubChem (CID 91596650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).