5-amino-2-methylidenehex-5-enoic acid

C7H11NO2 — CID 87619000

IUPAC5-amino-2-methylidenehex-5-enoic acid
SMILESC=C(N)CCC(=C)C(=O)O
InChIInChI=1S/C7H11NO2/c1-5(7(9)10)3-4-6(2)8/h1-4,8H2,(H,9,10)
InChIKeyPBOVWQWJEBOXIP-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.88
Rot. Bonds4

About 5-amino-2-methylidenehex-5-enoic acid

5-amino-2-methylidenehex-5-enoic acid (PubChem CID 87619000) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 5-amino-2-methylidenehex-5-enoic acid.

Molecular Properties

Compound Name5-amino-2-methylidenehex-5-enoic acid
PubChem CID87619000
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name5-amino-2-methylidenehex-5-enoic acid
SMILESC=C(N)CCC(=C)C(=O)O
InChIInChI=1S/C7H11NO2/c1-5(7(9)10)3-4-6(2)8/h1-4,8H2,(H,9,10)
InChIKeyPBOVWQWJEBOXIP-UHFFFAOYSA-N
XLogP0.88
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-amino-2-methylidenehex-5-enoic 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 5-amino-2-methylidenehex-5-enoic acid?
The IUPAC name of 5-amino-2-methylidenehex-5-enoic acid (CID 87619000) is 5-amino-2-methylidenehex-5-enoic acid.
What is the SMILES notation for 5-amino-2-methylidenehex-5-enoic acid?
The canonical SMILES for 5-amino-2-methylidenehex-5-enoic acid is C=C(N)CCC(=C)C(=O)O.
What is the InChIKey of 5-amino-2-methylidenehex-5-enoic acid?
The InChIKey is PBOVWQWJEBOXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5(7(9)10)3-4-6(2)8/h1-4,8H2,(H,9,10).
What are the key properties of 5-amino-2-methylidenehex-5-enoic acid?
5-amino-2-methylidenehex-5-enoic acid has a molecular weight of 141.17 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methylidenehex-5-enoic acid is sourced from PubChem (CID 87619000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).