2-methoxyethyl 3-aminocyclohexane-1-carboxylate

C10H19NO3 — CID 63043382

IUPAC2-methoxyethyl 3-aminocyclohexane-1-carboxylate
SMILESCOCCOC(=O)C1CCCC(N)C1
InChIInChI=1S/C10H19NO3/c1-13-5-6-14-10(12)8-3-2-4-9(11)7-8/h8-9H,2-7,11H2,1H3
InChIKeyVOEDQUHZCWSGAA-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.69
Rot. Bonds4

About 2-methoxyethyl 3-aminocyclohexane-1-carboxylate

2-methoxyethyl 3-aminocyclohexane-1-carboxylate (PubChem CID 63043382) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-methoxyethyl 3-aminocyclohexane-1-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 3-aminocyclohexane-1-carboxylate
PubChem CID63043382
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-methoxyethyl 3-aminocyclohexane-1-carboxylate
SMILESCOCCOC(=O)C1CCCC(N)C1
InChIInChI=1S/C10H19NO3/c1-13-5-6-14-10(12)8-3-2-4-9(11)7-8/h8-9H,2-7,11H2,1H3
InChIKeyVOEDQUHZCWSGAA-UHFFFAOYSA-N
XLogP0.69
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-butoxyethyl 3-aminocyclohexane-1-carboxylate
CID 55148657
2-(2,2-dibromoacetyl)oxyethyl 3-aminocyclohexane-1-carboxylate
CID 162508388
2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclobutanecarboxylate
CID 10192770
cis-methyl (1S,3R)-3-aminocyclohexane-1-carboxylate;cis-methyl (1R,3S)-3-aminocyclohexane-1-carboxylate;dihydrochloride
CID 170996917
1-(3-aminocyclohexyl)-4-methoxy-2-methylbutan-1-one
CID 116568865
3-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119765560
3-O-methyl 1-O-propyl cyclohexane-1,3-dicarboxylate
CID 66983427
3-amino-N-[3-(2-methoxyethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119693905
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119694990
1-[(1S,3S)-3-aminocyclohexyl]ethanone
CID 98010319
cis-pentyl (1R,3S)-3-aminocyclopentane-1-carboxylate
CID 106323832
2-[(3-aminocyclohexanecarbonyl)amino]-5-methoxypentanoic acid
CID 81078641

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 3-aminocyclohexane-1-carboxylate?
The IUPAC name of 2-methoxyethyl 3-aminocyclohexane-1-carboxylate (CID 63043382) is 2-methoxyethyl 3-aminocyclohexane-1-carboxylate.
What is the SMILES notation for 2-methoxyethyl 3-aminocyclohexane-1-carboxylate?
The canonical SMILES for 2-methoxyethyl 3-aminocyclohexane-1-carboxylate is COCCOC(=O)C1CCCC(N)C1.
What is the InChIKey of 2-methoxyethyl 3-aminocyclohexane-1-carboxylate?
The InChIKey is VOEDQUHZCWSGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-13-5-6-14-10(12)8-3-2-4-9(11)7-8/h8-9H,2-7,11H2,1H3.
What are the key properties of 2-methoxyethyl 3-aminocyclohexane-1-carboxylate?
2-methoxyethyl 3-aminocyclohexane-1-carboxylate has a molecular weight of 201.27 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 3-aminocyclohexane-1-carboxylate is sourced from PubChem (CID 63043382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).