3-[N-(3-aminopropylcarbamoyl)anilino]propanoic acid

C13H19N3O3 — CID 62275370

IUPAC3-[N-(3-aminopropylcarbamoyl)anilino]propanoic acid
SMILESNCCCNC(=O)N(CCC(=O)O)c1ccccc1
InChIInChI=1S/C13H19N3O3/c14-8-4-9-15-13(19)16(10-7-12(17)18)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,14H2,(H,15,19)(H,17,18)
InChIKeyAPHMMFMNMLNCMI-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.03
Rot. Bonds7

About 3-[N-(3-aminopropylcarbamoyl)anilino]propanoic acid

3-[N-(3-aminopropylcarbamoyl)anilino]propanoic acid (PubChem CID 62275370) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[N-(3-aminopropylcarbamoyl)anilino]propanoic acid.

Molecular Properties

Compound Name3-[N-(3-aminopropylcarbamoyl)anilino]propanoic acid
PubChem CID62275370
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-[N-(3-aminopropylcarbamoyl)anilino]propanoic acid
SMILESNCCCNC(=O)N(CCC(=O)O)c1ccccc1
InChIInChI=1S/C13H19N3O3/c14-8-4-9-15-13(19)16(10-7-12(17)18)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,14H2,(H,15,19)(H,17,18)
InChIKeyAPHMMFMNMLNCMI-UHFFFAOYSA-N
XLogP1.03
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[N-(3-aminopropylcarbamoyl)anilino]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-[N-(butylcarbamoyl)anilino]propanoic acid
CID 60828926
1-(3-aminopropyl)-3-butyl-1-phenylurea
CID 43135983
3-[N-(2-methoxyethylcarbamoyl)anilino]propanoic acid
CID 61187915
1-(3-amino-3-sulfanylidenepropyl)-3-butyl-1-phenylurea
CID 28787290
4-[N-(3-methylsulfanylpropylcarbamoyl)anilino]butanoic acid
CID 63958568
2-[N-(pent-4-ynylcarbamoyl)anilino]acetic acid
CID 113364158
3-[N-(3-aminopropyl)anilino]propanoic acid
CID 63654243
4-[N-(3-aminopropanoyl)anilino]butanoic acid
CID 61161462
4-[N-(2-methylpropylcarbamoyl)anilino]butanoic acid
CID 61188835
2-[N-(3-propoxypropylcarbamoyl)anilino]acetic acid
CID 82941568
1-(3-aminopropyl)-3-butyl-1-(4-methylphenyl)urea
CID 43318692
2-[N-(2-aminoethylcarbamoyl)-3-chloroanilino]acetic acid
CID 61403139

Frequently Asked Questions

What is the IUPAC name of 3-[N-(3-aminopropylcarbamoyl)anilino]propanoic acid?
The IUPAC name of 3-[N-(3-aminopropylcarbamoyl)anilino]propanoic acid (CID 62275370) is 3-[N-(3-aminopropylcarbamoyl)anilino]propanoic acid.
What is the SMILES notation for 3-[N-(3-aminopropylcarbamoyl)anilino]propanoic acid?
The canonical SMILES for 3-[N-(3-aminopropylcarbamoyl)anilino]propanoic acid is NCCCNC(=O)N(CCC(=O)O)c1ccccc1.
What is the InChIKey of 3-[N-(3-aminopropylcarbamoyl)anilino]propanoic acid?
The InChIKey is APHMMFMNMLNCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c14-8-4-9-15-13(19)16(10-7-12(17)18)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,14H2,(H,15,19)(H,17,18).
What are the key properties of 3-[N-(3-aminopropylcarbamoyl)anilino]propanoic acid?
3-[N-(3-aminopropylcarbamoyl)anilino]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.03, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-(3-aminopropylcarbamoyl)anilino]propanoic acid is sourced from PubChem (CID 62275370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).