methyl 1-amino-4-(2-methoxyethyl)cyclohexane-1-carboxylate

C11H21NO3 — CID 71254204

IUPACmethyl 1-amino-4-(2-methoxyethyl)cyclohexane-1-carboxylate
SMILESCOCCC1CCC(N)(C(=O)OC)CC1
InChIInChI=1S/C11H21NO3/c1-14-8-5-9-3-6-11(12,7-4-9)10(13)15-2/h9H,3-8,12H2,1-2H3
InChIKeyMYDLFWWOCCFNDF-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.08
Rot. Bonds4

About methyl 1-amino-4-(2-methoxyethyl)cyclohexane-1-carboxylate

methyl 1-amino-4-(2-methoxyethyl)cyclohexane-1-carboxylate (PubChem CID 71254204) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 1-amino-4-(2-methoxyethyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-4-(2-methoxyethyl)cyclohexane-1-carboxylate
PubChem CID71254204
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 1-amino-4-(2-methoxyethyl)cyclohexane-1-carboxylate
SMILESCOCCC1CCC(N)(C(=O)OC)CC1
InChIInChI=1S/C11H21NO3/c1-14-8-5-9-3-6-11(12,7-4-9)10(13)15-2/h9H,3-8,12H2,1-2H3
InChIKeyMYDLFWWOCCFNDF-UHFFFAOYSA-N
XLogP1.08
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-amino-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylate
CID 60797220
methyl 1-amino-3-(2-cyclopropylethoxy)cyclohexane-1-carboxylate
CID 106204408
2-cyclopropylethyl 1-aminocyclopentane-1-carboxylate
CID 106202522
methyl 1-amino-4-(trifluoromethyl)cyclohexane-1-carboxylate;hydrochloride
CID 67170841
tert-butyl 1-amino-4-(hydroxymethyl)cyclohexane-1-carboxylate
CID 142653726
methyl 1-amino-3-fluorocyclopentane-1-carboxylate
CID 115012639
3-(2-methoxyethoxy)propyl 1-amino-4-methylcyclohexane-1-carboxylate
CID 103403497
methyl 1-amino-3-[2-methoxyethyl(2-methylpropyl)amino]cyclopentane-1-carboxylate
CID 79655290
methyl 4-(2-methoxyethyl)-2-methylpiperidine-2-carboxylate
CID 117258237
methyl 4-aminopiperidine-4-carboxylate
CID 22907215
(3-amino-3-methoxycarbonylcyclopentyl)-methylphosphinic acid;hydrochloride
CID 134123358
2-(3-methoxypropoxy)ethyl 1-aminocyclopropane-1-carboxylate
CID 103178488

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-4-(2-methoxyethyl)cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-amino-4-(2-methoxyethyl)cyclohexane-1-carboxylate (CID 71254204) is methyl 1-amino-4-(2-methoxyethyl)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-4-(2-methoxyethyl)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-amino-4-(2-methoxyethyl)cyclohexane-1-carboxylate is COCCC1CCC(N)(C(=O)OC)CC1.
What is the InChIKey of methyl 1-amino-4-(2-methoxyethyl)cyclohexane-1-carboxylate?
The InChIKey is MYDLFWWOCCFNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-14-8-5-9-3-6-11(12,7-4-9)10(13)15-2/h9H,3-8,12H2,1-2H3.
What are the key properties of methyl 1-amino-4-(2-methoxyethyl)cyclohexane-1-carboxylate?
methyl 1-amino-4-(2-methoxyethyl)cyclohexane-1-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-4-(2-methoxyethyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 71254204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).