methyl 2-[cyclohex-2-en-1-yl(methoxycarbonyl)amino]acetate

C11H17NO4 — CID 139233977

IUPACmethyl 2-[cyclohex-2-en-1-yl(methoxycarbonyl)amino]acetate
SMILESCOC(=O)CN(C(=O)OC)C1C=CCCC1
InChIInChI=1S/C11H17NO4/c1-15-10(13)8-12(11(14)16-2)9-6-4-3-5-7-9/h4,6,9H,3,5,7-8H2,1-2H3
InChIKeyLFHFXYWNBMKVIH-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.34
Rot. Bonds3

About methyl 2-[cyclohex-2-en-1-yl(methoxycarbonyl)amino]acetate

methyl 2-[cyclohex-2-en-1-yl(methoxycarbonyl)amino]acetate (PubChem CID 139233977) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is methyl 2-[cyclohex-2-en-1-yl(methoxycarbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclohex-2-en-1-yl(methoxycarbonyl)amino]acetate
PubChem CID139233977
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Namemethyl 2-[cyclohex-2-en-1-yl(methoxycarbonyl)amino]acetate
SMILESCOC(=O)CN(C(=O)OC)C1C=CCCC1
InChIInChI=1S/C11H17NO4/c1-15-10(13)8-12(11(14)16-2)9-6-4-3-5-7-9/h4,6,9H,3,5,7-8H2,1-2H3
InChIKeyLFHFXYWNBMKVIH-UHFFFAOYSA-N
XLogP1.34
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-[cyclohex-2-en-1-yl(methoxycarbonyl)amino]acetate 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 2-[cyclohex-2-en-1-yl(methoxycarbonyl)amino]acetate?
The IUPAC name of methyl 2-[cyclohex-2-en-1-yl(methoxycarbonyl)amino]acetate (CID 139233977) is methyl 2-[cyclohex-2-en-1-yl(methoxycarbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[cyclohex-2-en-1-yl(methoxycarbonyl)amino]acetate?
The canonical SMILES for methyl 2-[cyclohex-2-en-1-yl(methoxycarbonyl)amino]acetate is COC(=O)CN(C(=O)OC)C1C=CCCC1.
What is the InChIKey of methyl 2-[cyclohex-2-en-1-yl(methoxycarbonyl)amino]acetate?
The InChIKey is LFHFXYWNBMKVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-15-10(13)8-12(11(14)16-2)9-6-4-3-5-7-9/h4,6,9H,3,5,7-8H2,1-2H3.
What are the key properties of methyl 2-[cyclohex-2-en-1-yl(methoxycarbonyl)amino]acetate?
methyl 2-[cyclohex-2-en-1-yl(methoxycarbonyl)amino]acetate has a molecular weight of 227.26 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclohex-2-en-1-yl(methoxycarbonyl)amino]acetate is sourced from PubChem (CID 139233977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).