3-(2-methylprop-2-enoylamino)propanoic acid

C7H11NO3 — CID 22483843

IUPAC3-(2-methylprop-2-enoylamino)propanoic acid
SMILESC=C(C)C(=O)NCCC(=O)O
InChIInChI=1S/C7H11NO3/c1-5(2)7(11)8-4-3-6(9)10/h1,3-4H2,2H3,(H,8,11)(H,9,10)
InChIKeyLTMXLMUNEFWJAX-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.15
Rot. Bonds4

About 3-(2-methylprop-2-enoylamino)propanoic acid

3-(2-methylprop-2-enoylamino)propanoic acid (PubChem CID 22483843) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-(2-methylprop-2-enoylamino)propanoic acid.

Molecular Properties

Compound Name3-(2-methylprop-2-enoylamino)propanoic acid
PubChem CID22483843
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name3-(2-methylprop-2-enoylamino)propanoic acid
SMILESC=C(C)C(=O)NCCC(=O)O
InChIInChI=1S/C7H11NO3/c1-5(2)7(11)8-4-3-6(9)10/h1,3-4H2,2H3,(H,8,11)(H,9,10)
InChIKeyLTMXLMUNEFWJAX-UHFFFAOYSA-N
XLogP0.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(2-methylprop-2-enoylamino)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

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-2-enoylamino)propanoic acid?
The IUPAC name of 3-(2-methylprop-2-enoylamino)propanoic acid (CID 22483843) is 3-(2-methylprop-2-enoylamino)propanoic acid.
What is the SMILES notation for 3-(2-methylprop-2-enoylamino)propanoic acid?
The canonical SMILES for 3-(2-methylprop-2-enoylamino)propanoic acid is C=C(C)C(=O)NCCC(=O)O.
What is the InChIKey of 3-(2-methylprop-2-enoylamino)propanoic acid?
The InChIKey is LTMXLMUNEFWJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-5(2)7(11)8-4-3-6(9)10/h1,3-4H2,2H3,(H,8,11)(H,9,10).
What are the key properties of 3-(2-methylprop-2-enoylamino)propanoic acid?
3-(2-methylprop-2-enoylamino)propanoic acid has a molecular weight of 157.17 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enoylamino)propanoic acid is sourced from PubChem (CID 22483843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).