1-(cyclopropylamino)-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid

C14H23NO3 — CID 79637177

IUPAC1-(cyclopropylamino)-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(NC2CC2)CCCC(OCC2CC2)C1
InChIInChI=1S/C14H23NO3/c16-13(17)14(15-11-5-6-11)7-1-2-12(8-14)18-9-10-3-4-10/h10-12,15H,1-9H2,(H,16,17)
InChIKeyILTURHHRWHIGKJ-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.93
Rot. Bonds6

About 1-(cyclopropylamino)-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid

1-(cyclopropylamino)-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid (PubChem CID 79637177) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid
PubChem CID79637177
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-(cyclopropylamino)-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(NC2CC2)CCCC(OCC2CC2)C1
InChIInChI=1S/C14H23NO3/c16-13(17)14(15-11-5-6-11)7-1-2-12(8-14)18-9-10-3-4-10/h10-12,15H,1-9H2,(H,16,17)
InChIKeyILTURHHRWHIGKJ-UHFFFAOYSA-N
XLogP1.93
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(cyclopentylmethoxy)-1-(cyclopropylamino)cyclohexane-1-carboxylate
CID 79635570
3-(cyclopentylmethoxy)-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79637509
1-amino-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid
CID 79638302
3-cyclobutyloxy-1-(cyclopropylamino)cyclohexane-1-carboxamide
CID 79638102
1-(cyclopropylamino)cyclododecane-1-carboxylic acid
CID 43754451
1-(cyclopropylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclopentane-1-carboxylic acid
CID 106448884
1-(cyclopropylmethylamino)-3-methoxycyclohexane-1-carboxylic acid
CID 106873087
methyl 1-(cyclopropylamino)-3-(2,2-difluoroethoxy)cyclohexane-1-carboxylate
CID 82007452
methyl 1-(cyclopropylamino)-3-pentoxycyclohexane-1-carboxylate
CID 79637497
3-(cyclopentylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79653895
1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid
CID 79635234
1-(cyclobutylamino)-3-methylcyclohexane-1-carboxylic acid
CID 82237602

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(cyclopropylamino)-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid (CID 79637177) is 1-(cyclopropylamino)-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylamino)-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(cyclopropylamino)-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid is O=C(O)C1(NC2CC2)CCCC(OCC2CC2)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid?
The InChIKey is ILTURHHRWHIGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c16-13(17)14(15-11-5-6-11)7-1-2-12(8-14)18-9-10-3-4-10/h10-12,15H,1-9H2,(H,16,17).
What are the key properties of 1-(cyclopropylamino)-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid?
1-(cyclopropylamino)-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79637177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).