1-(2-methoxyethylamino)cyclohexane-1-carboxylic acid

C10H19NO3 — CID 61340492

IUPAC1-(2-methoxyethylamino)cyclohexane-1-carboxylic acid
SMILESCOCCNC1(C(=O)O)CCCCC1
InChIInChI=1S/C10H19NO3/c1-14-8-7-11-10(9(12)13)5-3-2-4-6-10/h11H,2-8H2,1H3,(H,12,13)
InChIKeyXSVZZHZZTJGNGP-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.01
Rot. Bonds5

About 1-(2-methoxyethylamino)cyclohexane-1-carboxylic acid

1-(2-methoxyethylamino)cyclohexane-1-carboxylic acid (PubChem CID 61340492) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(2-methoxyethylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyethylamino)cyclohexane-1-carboxylic acid
PubChem CID61340492
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name1-(2-methoxyethylamino)cyclohexane-1-carboxylic acid
SMILESCOCCNC1(C(=O)O)CCCCC1
InChIInChI=1S/C10H19NO3/c1-14-8-7-11-10(9(12)13)5-3-2-4-6-10/h11H,2-8H2,1H3,(H,12,13)
InChIKeyXSVZZHZZTJGNGP-UHFFFAOYSA-N
XLogP1.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(propylamino)cycloheptane-1-carboxylic acid
CID 43754029
3-(2-methoxyethylamino)thiolane-3-carboxylic acid
CID 61341762
1-[2-(trifluoromethoxy)ethylamino]cyclobutane-1-carboxylic acid
CID 81166915
1-(3-ethoxypropylamino)cyclopentane-1-carboxylic acid
CID 71564982
1-[3-(2-methoxyethoxy)propanoylamino]cycloheptane-1-carboxylic acid
CID 120539104
1-(2-acetamidoethylamino)cyclohexane-1-carboxylic acid
CID 114988533
1-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 22574849
methyl 8-(2-methoxyethylamino)spiro[4.5]decane-8-carboxylate
CID 114818425
1-[(2-methoxy-2-oxoethyl)amino]cyclopentane-1-carboxylic acid
CID 114987731
1-(3-aminopropylamino)cyclooctane-1-carboxylic acid
CID 115000755
1-(2-methylsulfonylethylamino)cyclopentane-1-carboxylic acid
CID 114992122
1-(2-methoxyethylamino)-3,3,5-trimethylcyclohexane-1-carboxylic acid
CID 61340491

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2-methoxyethylamino)cyclohexane-1-carboxylic acid (CID 61340492) is 1-(2-methoxyethylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyethylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2-methoxyethylamino)cyclohexane-1-carboxylic acid is COCCNC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(2-methoxyethylamino)cyclohexane-1-carboxylic acid?
The InChIKey is XSVZZHZZTJGNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-14-8-7-11-10(9(12)13)5-3-2-4-6-10/h11H,2-8H2,1H3,(H,12,13).
What are the key properties of 1-(2-methoxyethylamino)cyclohexane-1-carboxylic acid?
1-(2-methoxyethylamino)cyclohexane-1-carboxylic acid has a molecular weight of 201.27 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61340492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).