4-[2-carboxyethyl(prop-2-enyl)amino]butanoic acid

C10H17NO4 — CID 82330573

IUPAC4-[2-carboxyethyl(prop-2-enyl)amino]butanoic acid
SMILESC=CCN(CCCC(=O)O)CCC(=O)O
InChIInChI=1S/C10H17NO4/c1-2-6-11(8-5-10(14)15)7-3-4-9(12)13/h2H,1,3-8H2,(H,12,13)(H,14,15)
InChIKeyQDCGHVUITOSXOO-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.81
Rot. Bonds9

About 4-[2-carboxyethyl(prop-2-enyl)amino]butanoic acid

4-[2-carboxyethyl(prop-2-enyl)amino]butanoic acid (PubChem CID 82330573) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-[2-carboxyethyl(prop-2-enyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[2-carboxyethyl(prop-2-enyl)amino]butanoic acid
PubChem CID82330573
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name4-[2-carboxyethyl(prop-2-enyl)amino]butanoic acid
SMILESC=CCN(CCCC(=O)O)CCC(=O)O
InChIInChI=1S/C10H17NO4/c1-2-6-11(8-5-10(14)15)7-3-4-9(12)13/h2H,1,3-8H2,(H,12,13)(H,14,15)
InChIKeyQDCGHVUITOSXOO-UHFFFAOYSA-N
XLogP0.81
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-carboxyethyl(prop-2-enyl)amino]butanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-carboxyethyl(prop-2-enyl)amino]butanoic acid?
The IUPAC name of 4-[2-carboxyethyl(prop-2-enyl)amino]butanoic acid (CID 82330573) is 4-[2-carboxyethyl(prop-2-enyl)amino]butanoic acid.
What is the SMILES notation for 4-[2-carboxyethyl(prop-2-enyl)amino]butanoic acid?
The canonical SMILES for 4-[2-carboxyethyl(prop-2-enyl)amino]butanoic acid is C=CCN(CCCC(=O)O)CCC(=O)O.
What is the InChIKey of 4-[2-carboxyethyl(prop-2-enyl)amino]butanoic acid?
The InChIKey is QDCGHVUITOSXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-2-6-11(8-5-10(14)15)7-3-4-9(12)13/h2H,1,3-8H2,(H,12,13)(H,14,15).
What are the key properties of 4-[2-carboxyethyl(prop-2-enyl)amino]butanoic acid?
4-[2-carboxyethyl(prop-2-enyl)amino]butanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.81, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-carboxyethyl(prop-2-enyl)amino]butanoic acid is sourced from PubChem (CID 82330573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).