3-amino-2-methylidenebutanamide

C5H10N2O — CID 22497387

IUPAC3-amino-2-methylidenebutanamide
SMILESC=C(C(N)=O)C(C)N
InChIInChI=1S/C5H10N2O/c1-3(4(2)6)5(7)8/h4H,1,6H2,2H3,(H2,7,8)
InChIKeyJMJJQQHVCUKHOI-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.62
Rot. Bonds2

About 3-amino-2-methylidenebutanamide

3-amino-2-methylidenebutanamide (PubChem CID 22497387) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 3-amino-2-methylidenebutanamide.

Molecular Properties

Compound Name3-amino-2-methylidenebutanamide
PubChem CID22497387
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name3-amino-2-methylidenebutanamide
SMILESC=C(C(N)=O)C(C)N
InChIInChI=1S/C5H10N2O/c1-3(4(2)6)5(7)8/h4H,1,6H2,2H3,(H2,7,8)
InChIKeyJMJJQQHVCUKHOI-UHFFFAOYSA-N
XLogP-0.62
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-2-methylidenebutanamide 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-amino-2-methylidenebutanamide?
The IUPAC name of 3-amino-2-methylidenebutanamide (CID 22497387) is 3-amino-2-methylidenebutanamide.
What is the SMILES notation for 3-amino-2-methylidenebutanamide?
The canonical SMILES for 3-amino-2-methylidenebutanamide is C=C(C(N)=O)C(C)N.
What is the InChIKey of 3-amino-2-methylidenebutanamide?
The InChIKey is JMJJQQHVCUKHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-3(4(2)6)5(7)8/h4H,1,6H2,2H3,(H2,7,8).
What are the key properties of 3-amino-2-methylidenebutanamide?
3-amino-2-methylidenebutanamide has a molecular weight of 114.15 g/mol, XLogP of -0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methylidenebutanamide is sourced from PubChem (CID 22497387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).