(Z)-2-aminohex-2-enoic acid

C6H11NO2 — CID 87221535

IUPAC(Z)-2-aminohex-2-enoic acid
SMILESCCC/C=C(\N)C(=O)O
InChIInChI=1S/C6H11NO2/c1-2-3-4-5(7)6(8)9/h4H,2-3,7H2,1H3,(H,8,9)/b5-4-
InChIKeyLIMJMBLHVWSHEI-PLNGDYQASA-N
MW129.16 g/mol
LogP0.71
Rot. Bonds3

About (Z)-2-aminohex-2-enoic acid

(Z)-2-aminohex-2-enoic acid (PubChem CID 87221535) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (Z)-2-aminohex-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-aminohex-2-enoic acid
PubChem CID87221535
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(Z)-2-aminohex-2-enoic acid
SMILESCCC/C=C(\N)C(=O)O
InChIInChI=1S/C6H11NO2/c1-2-3-4-5(7)6(8)9/h4H,2-3,7H2,1H3,(H,8,9)/b5-4-
InChIKeyLIMJMBLHVWSHEI-PLNGDYQASA-N
XLogP0.71
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-2-aminohex-2-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 (Z)-2-aminohex-2-enoic acid?
The IUPAC name of (Z)-2-aminohex-2-enoic acid (CID 87221535) is (Z)-2-aminohex-2-enoic acid.
What is the SMILES notation for (Z)-2-aminohex-2-enoic acid?
The canonical SMILES for (Z)-2-aminohex-2-enoic acid is CCC/C=C(\N)C(=O)O.
What is the InChIKey of (Z)-2-aminohex-2-enoic acid?
The InChIKey is LIMJMBLHVWSHEI-PLNGDYQASA-N. The full InChI is InChI=1S/C6H11NO2/c1-2-3-4-5(7)6(8)9/h4H,2-3,7H2,1H3,(H,8,9)/b5-4-.
What are the key properties of (Z)-2-aminohex-2-enoic acid?
(Z)-2-aminohex-2-enoic acid has a molecular weight of 129.16 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-aminohex-2-enoic acid is sourced from PubChem (CID 87221535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).