2-[2-(methylamino)cyclohexyl]oxybutanoic acid

C11H21NO3 — CID 106941030

IUPAC2-[2-(methylamino)cyclohexyl]oxybutanoic acid
SMILESCCC(OC1CCCCC1NC)C(=O)O
InChIInChI=1S/C11H21NO3/c1-3-9(11(13)14)15-10-7-5-4-6-8(10)12-2/h8-10,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyFXPVYHIHTLYVRM-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.40
Rot. Bonds5

About 2-[2-(methylamino)cyclohexyl]oxybutanoic acid

2-[2-(methylamino)cyclohexyl]oxybutanoic acid (PubChem CID 106941030) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[2-(methylamino)cyclohexyl]oxybutanoic acid.

Molecular Properties

Compound Name2-[2-(methylamino)cyclohexyl]oxybutanoic acid
PubChem CID106941030
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-[2-(methylamino)cyclohexyl]oxybutanoic acid
SMILESCCC(OC1CCCCC1NC)C(=O)O
InChIInChI=1S/C11H21NO3/c1-3-9(11(13)14)15-10-7-5-4-6-8(10)12-2/h8-10,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyFXPVYHIHTLYVRM-UHFFFAOYSA-N
XLogP1.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)cyclohexyl]oxybutanoic acid
CID 106940249
N-methyl-2-[2-(methylamino)cyclohexyl]oxypropanamide
CID 102633381
2-(4-methylcyclohexyl)oxybutanoic acid
CID 43808830
2-(cyclopentylmethoxy)butanoic acid
CID 66324485
2-[2-(methylamino)cyclohexyl]oxy-N-propylacetamide
CID 102633360
2-(3-aminocyclohexyl)oxybutanoic acid
CID 106940597
N-methyl-2-(2-propan-2-ylsulfonylethoxy)cyclohexan-1-amine
CID 106727010
N-cyclopropyl-3-[2-(methylamino)cyclohexyl]oxypropanamide
CID 102633353
ethyl 2-(2-aminocyclopentyl)oxybutanoate
CID 106940805
cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid
CID 66806131
[2-(methylamino)cyclohexyl] N-benzylcarbamate
CID 107654729
2-(2,2-difluoroethoxy)-N-methylcyclooctan-1-amine
CID 82004539

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)cyclohexyl]oxybutanoic acid?
The IUPAC name of 2-[2-(methylamino)cyclohexyl]oxybutanoic acid (CID 106941030) is 2-[2-(methylamino)cyclohexyl]oxybutanoic acid.
What is the SMILES notation for 2-[2-(methylamino)cyclohexyl]oxybutanoic acid?
The canonical SMILES for 2-[2-(methylamino)cyclohexyl]oxybutanoic acid is CCC(OC1CCCCC1NC)C(=O)O.
What is the InChIKey of 2-[2-(methylamino)cyclohexyl]oxybutanoic acid?
The InChIKey is FXPVYHIHTLYVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-9(11(13)14)15-10-7-5-4-6-8(10)12-2/h8-10,12H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[2-(methylamino)cyclohexyl]oxybutanoic acid?
2-[2-(methylamino)cyclohexyl]oxybutanoic acid has a molecular weight of 215.29 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 2-[2-(methylamino)cyclohexyl]oxybutanoic acid is sourced from PubChem (CID 106941030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).