methyl 2-amino-2-(2-methoxyethyl)-1-methylcyclohexane-1-carboxylate

C12H23NO3 — CID 174480988

IUPACmethyl 2-amino-2-(2-methoxyethyl)-1-methylcyclohexane-1-carboxylate
SMILESCOCCC1(N)CCCCC1(C)C(=O)OC
InChIInChI=1S/C12H23NO3/c1-11(10(14)16-3)6-4-5-7-12(11,13)8-9-15-2/h4-9,13H2,1-3H3
InChIKeyLXYHMCAAPJXFDO-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.47
Rot. Bonds4

About methyl 2-amino-2-(2-methoxyethyl)-1-methylcyclohexane-1-carboxylate

methyl 2-amino-2-(2-methoxyethyl)-1-methylcyclohexane-1-carboxylate (PubChem CID 174480988) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is methyl 2-amino-2-(2-methoxyethyl)-1-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-2-(2-methoxyethyl)-1-methylcyclohexane-1-carboxylate
PubChem CID174480988
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Namemethyl 2-amino-2-(2-methoxyethyl)-1-methylcyclohexane-1-carboxylate
SMILESCOCCC1(N)CCCCC1(C)C(=O)OC
InChIInChI=1S/C12H23NO3/c1-11(10(14)16-3)6-4-5-7-12(11,13)8-9-15-2/h4-9,13H2,1-3H3
InChIKeyLXYHMCAAPJXFDO-UHFFFAOYSA-N
XLogP1.47
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl 10-aminospiro[4.5]decane-10-carboxylate
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N-(2-amino-2-methylpropyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide
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methyl 1,2,2-trimethylcyclopropane-1-carboxylate
CID 15129471
methyl 1-amino-4-(2-methoxyethyl)cyclohexane-1-carboxylate
CID 71254204
methyl 2-methylspiro[2.2]pentane-2-carboxylate
CID 580337
methyl 4-aminobicyclo[2.2.2]octane-1-carboxylate;hydrochloride
CID 67216420
N-(2-amino-2-methylpropyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide;hydrochloride
CID 119629491
2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-methylpropanamide
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CID 64606072

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(2-methoxyethyl)-1-methylcyclohexane-1-carboxylate?
The IUPAC name of methyl 2-amino-2-(2-methoxyethyl)-1-methylcyclohexane-1-carboxylate (CID 174480988) is methyl 2-amino-2-(2-methoxyethyl)-1-methylcyclohexane-1-carboxylate.
What is the SMILES notation for methyl 2-amino-2-(2-methoxyethyl)-1-methylcyclohexane-1-carboxylate?
The canonical SMILES for methyl 2-amino-2-(2-methoxyethyl)-1-methylcyclohexane-1-carboxylate is COCCC1(N)CCCCC1(C)C(=O)OC.
What is the InChIKey of methyl 2-amino-2-(2-methoxyethyl)-1-methylcyclohexane-1-carboxylate?
The InChIKey is LXYHMCAAPJXFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-11(10(14)16-3)6-4-5-7-12(11,13)8-9-15-2/h4-9,13H2,1-3H3.
What are the key properties of methyl 2-amino-2-(2-methoxyethyl)-1-methylcyclohexane-1-carboxylate?
methyl 2-amino-2-(2-methoxyethyl)-1-methylcyclohexane-1-carboxylate has a molecular weight of 229.32 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(2-methoxyethyl)-1-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 174480988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).