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

C12H21NO3 — CID 96547900

IUPACmethyl 2-[[(1R)-cyclohex-2-en-1-yl]-(2-methoxyethyl)amino]acetate
SMILESCOCCN(CC(=O)OC)[C@H]1C=CCCC1
InChIInChI=1S/C12H21NO3/c1-15-9-8-13(10-12(14)16-2)11-6-4-3-5-7-11/h4,6,11H,3,5,7-10H2,1-2H3/t11-/m0/s1
InChIKeyRVBIZFJHWGOZEW-NSHDSACASA-N
MW227.30 g/mol
LogP1.22
Rot. Bonds6

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

methyl 2-[[(1R)-cyclohex-2-en-1-yl]-(2-methoxyethyl)amino]acetate (PubChem CID 96547900) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is methyl 2-[[(1R)-cyclohex-2-en-1-yl]-(2-methoxyethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(1R)-cyclohex-2-en-1-yl]-(2-methoxyethyl)amino]acetate
PubChem CID96547900
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namemethyl 2-[[(1R)-cyclohex-2-en-1-yl]-(2-methoxyethyl)amino]acetate
SMILESCOCCN(CC(=O)OC)[C@H]1C=CCCC1
InChIInChI=1S/C12H21NO3/c1-15-9-8-13(10-12(14)16-2)11-6-4-3-5-7-11/h4,6,11H,3,5,7-10H2,1-2H3/t11-/m0/s1
InChIKeyRVBIZFJHWGOZEW-NSHDSACASA-N
XLogP1.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-[[(1R)-cyclohex-2-en-1-yl]-(2-methoxyethyl)amino]acetate with MolForge

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Related Compounds

Methyl 2-(1-hexa-1,5-dien-3-ylpiperidin-1-ium-1-yl)acetate bromide
CID 13153024
Methyl 2-(cyclohex-2-en-1-ylamino)acetate
CID 11126688
Methyl 2-(1-hexa-1,5-dien-3-ylpiperidin-1-ium-1-yl)acetate
CID 3143105
Methyl 2-[cyclohex-2-en-1-yl(methoxycarbonyl)amino]acetate
CID 139233977
Methyl 2-[acetyl(cyclohex-2-en-1-yl)amino]acetate
CID 139233979
Ethyl 2-(cyclohex-2-en-1-ylamino)acetate
CID 13474771
Methyl 1-ethyl-1,2,5,6-tetrahydropyridinecarboxylate
CID 21849994
methyl 1-methyl-3,6-dihydro-2H-pyridine-6-carboxylate
CID 53738394
Ethyl 3-[cyclohex-2-en-1-yl(ethyl)amino]propanoate
CID 118137517
ethyl 1-methyl-3,6-dihydro-2H-pyridine-2-carboxylate
CID 139781713
ethyl 2-[methyl-[(Z)-octadec-9-enyl]amino]acetate
CID 141360163
methyl 1-methyl-3,6-dihydro-2H-pyridine-2-carboxylate
CID 143881250

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(1R)-cyclohex-2-en-1-yl]-(2-methoxyethyl)amino]acetate?
The IUPAC name of methyl 2-[[(1R)-cyclohex-2-en-1-yl]-(2-methoxyethyl)amino]acetate (CID 96547900) is methyl 2-[[(1R)-cyclohex-2-en-1-yl]-(2-methoxyethyl)amino]acetate.
What is the SMILES notation for methyl 2-[[(1R)-cyclohex-2-en-1-yl]-(2-methoxyethyl)amino]acetate?
The canonical SMILES for methyl 2-[[(1R)-cyclohex-2-en-1-yl]-(2-methoxyethyl)amino]acetate is COCCN(CC(=O)OC)[C@H]1C=CCCC1.
What is the InChIKey of methyl 2-[[(1R)-cyclohex-2-en-1-yl]-(2-methoxyethyl)amino]acetate?
The InChIKey is RVBIZFJHWGOZEW-NSHDSACASA-N. The full InChI is InChI=1S/C12H21NO3/c1-15-9-8-13(10-12(14)16-2)11-6-4-3-5-7-11/h4,6,11H,3,5,7-10H2,1-2H3/t11-/m0/s1.
What are the key properties of methyl 2-[[(1R)-cyclohex-2-en-1-yl]-(2-methoxyethyl)amino]acetate?
methyl 2-[[(1R)-cyclohex-2-en-1-yl]-(2-methoxyethyl)amino]acetate has a molecular weight of 227.30 g/mol, XLogP of 1.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(1R)-cyclohex-2-en-1-yl]-(2-methoxyethyl)amino]acetate is sourced from PubChem (CID 96547900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).