methyl 3-[cyclohex-3-ene-1-carbonyl(2-methoxyethyl)amino]propanoate

C14H23NO4 — CID 78958895

IUPACmethyl 3-[cyclohex-3-ene-1-carbonyl(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)C1CC=CCC1
InChIInChI=1S/C14H23NO4/c1-18-11-10-15(9-8-13(16)19-2)14(17)12-6-4-3-5-7-12/h3-4,12H,5-11H2,1-2H3
InChIKeyUGMSTCWKPTVFEL-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.38
Rot. Bonds7

About methyl 3-[cyclohex-3-ene-1-carbonyl(2-methoxyethyl)amino]propanoate

methyl 3-[cyclohex-3-ene-1-carbonyl(2-methoxyethyl)amino]propanoate (PubChem CID 78958895) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is methyl 3-[cyclohex-3-ene-1-carbonyl(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[cyclohex-3-ene-1-carbonyl(2-methoxyethyl)amino]propanoate
PubChem CID78958895
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Namemethyl 3-[cyclohex-3-ene-1-carbonyl(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)C1CC=CCC1
InChIInChI=1S/C14H23NO4/c1-18-11-10-15(9-8-13(16)19-2)14(17)12-6-4-3-5-7-12/h3-4,12H,5-11H2,1-2H3
InChIKeyUGMSTCWKPTVFEL-UHFFFAOYSA-N
XLogP1.38
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 3-[cyclohex-3-ene-1-carbonyl(2-methoxyethyl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(1-(cyclohex-3-en-1-yl)-N-(propan-2-yl)formamido)acetate
CID 54941883
3-[(1S,2R)-2-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
CID 11031075
3-[(1S,2R,5R)-2,5-dimethylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
CID 15522338
ethyl 3-[(4aS,8aR)-1-oxo-4a,5,8,8a-tetrahydroisoquinolin-2-yl]propanoate
CID 135040554
Ethyl 2-[methyl(4-methylhept-5-enoyl)amino]acetate
CID 91184964
ethyl 2-[methyl-[(E)-4-methylhept-5-enoyl]amino]acetate
CID 141256336
(E)-N,N-bis(2-methoxyethyl)-4-methylhept-5-enamide
CID 141368714
N-tert-butyl-N-(6-methoxycarbonyl-4-methylcyclohex-2-en-1-yl)carbamate
CID 21653793
Methyl 2-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]acetate
CID 43407690
Methyl 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]acetate
CID 43408814
Ethyl 3-[cyclohex-3-ene-1-carbonyl(cyclopropyl)amino]propanoate
CID 48387328
Ethyl 2-[cyclohex-3-ene-1-carbonyl(propan-2-yl)amino]acetate
CID 54896259

Frequently Asked Questions

What is the IUPAC name of methyl 3-[cyclohex-3-ene-1-carbonyl(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[cyclohex-3-ene-1-carbonyl(2-methoxyethyl)amino]propanoate (CID 78958895) is methyl 3-[cyclohex-3-ene-1-carbonyl(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[cyclohex-3-ene-1-carbonyl(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[cyclohex-3-ene-1-carbonyl(2-methoxyethyl)amino]propanoate is COCCN(CCC(=O)OC)C(=O)C1CC=CCC1.
What is the InChIKey of methyl 3-[cyclohex-3-ene-1-carbonyl(2-methoxyethyl)amino]propanoate?
The InChIKey is UGMSTCWKPTVFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-18-11-10-15(9-8-13(16)19-2)14(17)12-6-4-3-5-7-12/h3-4,12H,5-11H2,1-2H3.
What are the key properties of methyl 3-[cyclohex-3-ene-1-carbonyl(2-methoxyethyl)amino]propanoate?
methyl 3-[cyclohex-3-ene-1-carbonyl(2-methoxyethyl)amino]propanoate has a molecular weight of 269.34 g/mol, XLogP of 1.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[cyclohex-3-ene-1-carbonyl(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 78958895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).