4-(2-methylprop-2-enylamino)butanoic acid

C8H15NO2 — CID 24700191

IUPAC4-(2-methylprop-2-enylamino)butanoic acid
SMILESC=C(C)CNCCCC(=O)O
InChIInChI=1S/C8H15NO2/c1-7(2)6-9-5-3-4-8(10)11/h9H,1,3-6H2,2H3,(H,10,11)
InChIKeyVVBZSYBCINWYSA-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.02
Rot. Bonds6

About 4-(2-methylprop-2-enylamino)butanoic acid

4-(2-methylprop-2-enylamino)butanoic acid (PubChem CID 24700191) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 4-(2-methylprop-2-enylamino)butanoic acid.

Molecular Properties

Compound Name4-(2-methylprop-2-enylamino)butanoic acid
PubChem CID24700191
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name4-(2-methylprop-2-enylamino)butanoic acid
SMILESC=C(C)CNCCCC(=O)O
InChIInChI=1S/C8H15NO2/c1-7(2)6-9-5-3-4-8(10)11/h9H,1,3-6H2,2H3,(H,10,11)
InChIKeyVVBZSYBCINWYSA-UHFFFAOYSA-N
XLogP1.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-methylprop-2-enylamino)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-methylprop-2-enylamino)butanoic acid?
The IUPAC name of 4-(2-methylprop-2-enylamino)butanoic acid (CID 24700191) is 4-(2-methylprop-2-enylamino)butanoic acid.
What is the SMILES notation for 4-(2-methylprop-2-enylamino)butanoic acid?
The canonical SMILES for 4-(2-methylprop-2-enylamino)butanoic acid is C=C(C)CNCCCC(=O)O.
What is the InChIKey of 4-(2-methylprop-2-enylamino)butanoic acid?
The InChIKey is VVBZSYBCINWYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7(2)6-9-5-3-4-8(10)11/h9H,1,3-6H2,2H3,(H,10,11).
What are the key properties of 4-(2-methylprop-2-enylamino)butanoic acid?
4-(2-methylprop-2-enylamino)butanoic acid has a molecular weight of 157.21 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylprop-2-enylamino)butanoic acid is sourced from PubChem (CID 24700191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).