3-(but-3-enoylamino)propanoic acid

C7H11NO3 — CID 62685352

IUPAC3-(but-3-enoylamino)propanoic acid
SMILESC=CCC(=O)NCCC(=O)O
InChIInChI=1S/C7H11NO3/c1-2-3-6(9)8-5-4-7(10)11/h2H,1,3-5H2,(H,8,9)(H,10,11)
InChIKeyORMKIWDHMYCYJB-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.15
Rot. Bonds5

About 3-(but-3-enoylamino)propanoic acid

3-(but-3-enoylamino)propanoic acid (PubChem CID 62685352) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-(but-3-enoylamino)propanoic acid.

Molecular Properties

Compound Name3-(but-3-enoylamino)propanoic acid
PubChem CID62685352
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name3-(but-3-enoylamino)propanoic acid
SMILESC=CCC(=O)NCCC(=O)O
InChIInChI=1S/C7H11NO3/c1-2-3-6(9)8-5-4-7(10)11/h2H,1,3-5H2,(H,8,9)(H,10,11)
InChIKeyORMKIWDHMYCYJB-UHFFFAOYSA-N
XLogP0.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(but-3-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

Related Compounds

Vinylacetylglycine
CID 53477718
N-acryloyl-beta-alanine
CID 324231
3-[(1-Fluorocyclohexa-2,5-diene-1-carbonyl)amino]propanoic acid
CID 173207409
3-[(Prop-2-en-1-yl)amino]propanoic acid
CID 14093037
3-[[(E)-but-2-enoyl]amino]propanoic acid
CID 24706280
3-(But-2-enoylamino)propanoic acid
CID 54507045
3-(Pent-4-enoylamino)propanoic acid
CID 57874017
(3S)-3-(pent-4-enoylamino)butanoic acid
CID 58070894
3-Oxo-3-(prop-2-enylamino)propanoic acid
CID 62230233
Methyl 3-(but-3-enoylamino)propanoate
CID 62680081
3-(Pent-4-enoylamino)butanoic acid
CID 62683470
3-(But-3-enylamino)propanoic acid
CID 64314492

Frequently Asked Questions

What is the IUPAC name of 3-(but-3-enoylamino)propanoic acid?
The IUPAC name of 3-(but-3-enoylamino)propanoic acid (CID 62685352) is 3-(but-3-enoylamino)propanoic acid.
What is the SMILES notation for 3-(but-3-enoylamino)propanoic acid?
The canonical SMILES for 3-(but-3-enoylamino)propanoic acid is C=CCC(=O)NCCC(=O)O.
What is the InChIKey of 3-(but-3-enoylamino)propanoic acid?
The InChIKey is ORMKIWDHMYCYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-2-3-6(9)8-5-4-7(10)11/h2H,1,3-5H2,(H,8,9)(H,10,11).
What are the key properties of 3-(but-3-enoylamino)propanoic acid?
3-(but-3-enoylamino)propanoic acid has a molecular weight of 157.17 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(but-3-enoylamino)propanoic acid is sourced from PubChem (CID 62685352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).