3-(cyclopentylmethoxy)-1-(methylamino)cyclohexane-1-carboxylic acid

C14H25NO3 — CID 79637509

IUPAC3-(cyclopentylmethoxy)-1-(methylamino)cyclohexane-1-carboxylic acid
SMILESCNC1(C(=O)O)CCCC(OCC2CCCC2)C1
InChIInChI=1S/C14H25NO3/c1-15-14(13(16)17)8-4-7-12(9-14)18-10-11-5-2-3-6-11/h11-12,15H,2-10H2,1H3,(H,16,17)
InChIKeyBTTBYYUSLIBNCH-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.18
Rot. Bonds5

About 3-(cyclopentylmethoxy)-1-(methylamino)cyclohexane-1-carboxylic acid

3-(cyclopentylmethoxy)-1-(methylamino)cyclohexane-1-carboxylic acid (PubChem CID 79637509) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-(cyclopentylmethoxy)-1-(methylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(cyclopentylmethoxy)-1-(methylamino)cyclohexane-1-carboxylic acid
PubChem CID79637509
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name3-(cyclopentylmethoxy)-1-(methylamino)cyclohexane-1-carboxylic acid
SMILESCNC1(C(=O)O)CCCC(OCC2CCCC2)C1
InChIInChI=1S/C14H25NO3/c1-15-14(13(16)17)8-4-7-12(9-14)18-10-11-5-2-3-6-11/h11-12,15H,2-10H2,1H3,(H,16,17)
InChIKeyBTTBYYUSLIBNCH-UHFFFAOYSA-N
XLogP2.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid
CID 79637177
methyl 3-(cyclopentylmethoxy)-1-(cyclopropylamino)cyclohexane-1-carboxylate
CID 79635570
3-(3-ethylcyclohexyl)oxy-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79637128
1-(methylamino)-3-(2-propan-2-yloxyethoxy)cyclohexane-1-carboxylic acid
CID 79637773
3-[2-(3-methoxypropoxy)ethoxy]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 103180113
1-(methylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxylic acid
CID 79637762
3-(2-cyclobutylethoxy)-1-(methylamino)cyclohexane-1-carboxamide
CID 114157865
3-(2-ethylhexoxy)-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79638073
3-(2-methoxyethoxy)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79648903
1-amino-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid
CID 79638302
3-(cyclopentylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79653895
3-[cyclopentylmethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79641441

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethoxy)-1-(methylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(cyclopentylmethoxy)-1-(methylamino)cyclohexane-1-carboxylic acid (CID 79637509) is 3-(cyclopentylmethoxy)-1-(methylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(cyclopentylmethoxy)-1-(methylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(cyclopentylmethoxy)-1-(methylamino)cyclohexane-1-carboxylic acid is CNC1(C(=O)O)CCCC(OCC2CCCC2)C1.
What is the InChIKey of 3-(cyclopentylmethoxy)-1-(methylamino)cyclohexane-1-carboxylic acid?
The InChIKey is BTTBYYUSLIBNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-15-14(13(16)17)8-4-7-12(9-14)18-10-11-5-2-3-6-11/h11-12,15H,2-10H2,1H3,(H,16,17).
What are the key properties of 3-(cyclopentylmethoxy)-1-(methylamino)cyclohexane-1-carboxylic acid?
3-(cyclopentylmethoxy)-1-(methylamino)cyclohexane-1-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethoxy)-1-(methylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79637509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).