methyl (Z)-3-aminohex-2-enoate

C7H13NO2 — CID 19771833

IUPACmethyl (Z)-3-aminohex-2-enoate
SMILESCCC/C(N)=C/C(=O)OC
InChIInChI=1S/C7H13NO2/c1-3-4-6(8)5-7(9)10-2/h5H,3-4,8H2,1-2H3/b6-5-
InChIKeyGLHATHZBPJZOFM-WAYWQWQTSA-N
MW143.19 g/mol
LogP0.80
Rot. Bonds3

About methyl (Z)-3-aminohex-2-enoate

methyl (Z)-3-aminohex-2-enoate (PubChem CID 19771833) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is methyl (Z)-3-aminohex-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-aminohex-2-enoate
PubChem CID19771833
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Namemethyl (Z)-3-aminohex-2-enoate
SMILESCCC/C(N)=C/C(=O)OC
InChIInChI=1S/C7H13NO2/c1-3-4-6(8)5-7(9)10-2/h5H,3-4,8H2,1-2H3/b6-5-
InChIKeyGLHATHZBPJZOFM-WAYWQWQTSA-N
XLogP0.80
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (Z)-3-aminohex-2-enoate 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 methyl (Z)-3-aminohex-2-enoate?
The IUPAC name of methyl (Z)-3-aminohex-2-enoate (CID 19771833) is methyl (Z)-3-aminohex-2-enoate.
What is the SMILES notation for methyl (Z)-3-aminohex-2-enoate?
The canonical SMILES for methyl (Z)-3-aminohex-2-enoate is CCC/C(N)=C/C(=O)OC.
What is the InChIKey of methyl (Z)-3-aminohex-2-enoate?
The InChIKey is GLHATHZBPJZOFM-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-4-6(8)5-7(9)10-2/h5H,3-4,8H2,1-2H3/b6-5-.
What are the key properties of methyl (Z)-3-aminohex-2-enoate?
methyl (Z)-3-aminohex-2-enoate has a molecular weight of 143.19 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-aminohex-2-enoate is sourced from PubChem (CID 19771833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).