1-(cyclopropylmethylamino)-3-methoxycyclohexane-1-carboxylic acid

C12H21NO3 — CID 106873087

IUPAC1-(cyclopropylmethylamino)-3-methoxycyclohexane-1-carboxylic acid
SMILESCOC1CCCC(NCC2CC2)(C(=O)O)C1
InChIInChI=1S/C12H21NO3/c1-16-10-3-2-6-12(7-10,11(14)15)13-8-9-4-5-9/h9-10,13H,2-8H2,1H3,(H,14,15)
InChIKeyQTWSEAXKKCIQCM-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.40
Rot. Bonds5

About 1-(cyclopropylmethylamino)-3-methoxycyclohexane-1-carboxylic acid

1-(cyclopropylmethylamino)-3-methoxycyclohexane-1-carboxylic acid (PubChem CID 106873087) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 1-(cyclopropylmethylamino)-3-methoxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylmethylamino)-3-methoxycyclohexane-1-carboxylic acid
PubChem CID106873087
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name1-(cyclopropylmethylamino)-3-methoxycyclohexane-1-carboxylic acid
SMILESCOC1CCCC(NCC2CC2)(C(=O)O)C1
InChIInChI=1S/C12H21NO3/c1-16-10-3-2-6-12(7-10,11(14)15)13-8-9-4-5-9/h9-10,13H,2-8H2,1H3,(H,14,15)
InChIKeyQTWSEAXKKCIQCM-UHFFFAOYSA-N
XLogP1.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(cyclopropylmethylamino)-3-methoxycyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(diethylamino)ethylamino]-3-methoxycyclohexane-1-carboxylic acid
CID 106873019
1-(3-azidopropylamino)-3-methoxycyclohexane-1-carboxylic acid
CID 106873196
3-cyclobutyloxy-1-(ethylamino)cyclohexane-1-carboxylic acid
CID 79637267
1-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxylic acid
CID 79637616
3-methoxycyclohexane-1,1-dicarboxylic acid
CID 18968479
1-(cyclopropylmethylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 61001600
1-(ethylamino)-3-(1-methoxypropan-2-yloxy)cyclohexane-1-carboxylic acid
CID 79637650
3-(cyclopentylmethoxy)-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79637509
ethyl 3-methoxy-1-(propylamino)cyclohexane-1-carboxylate
CID 79637630
1-(ethylamino)-3-(3-methylbutoxy)cyclohexane-1-carboxylic acid
CID 79638153
1-(ethylamino)-3-heptoxycyclohexane-1-carboxylic acid
CID 79638071
1-(cyclopropylamino)-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid
CID 79637177

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethylamino)-3-methoxycyclohexane-1-carboxylic acid?
The IUPAC name of 1-(cyclopropylmethylamino)-3-methoxycyclohexane-1-carboxylic acid (CID 106873087) is 1-(cyclopropylmethylamino)-3-methoxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylmethylamino)-3-methoxycyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(cyclopropylmethylamino)-3-methoxycyclohexane-1-carboxylic acid is COC1CCCC(NCC2CC2)(C(=O)O)C1.
What is the InChIKey of 1-(cyclopropylmethylamino)-3-methoxycyclohexane-1-carboxylic acid?
The InChIKey is QTWSEAXKKCIQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-16-10-3-2-6-12(7-10,11(14)15)13-8-9-4-5-9/h9-10,13H,2-8H2,1H3,(H,14,15).
What are the key properties of 1-(cyclopropylmethylamino)-3-methoxycyclohexane-1-carboxylic acid?
1-(cyclopropylmethylamino)-3-methoxycyclohexane-1-carboxylic acid has a molecular weight of 227.30 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethylamino)-3-methoxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 106873087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).