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

C11H21NO3 — CID 106940249

IUPAC2-[2-(aminomethyl)cyclohexyl]oxybutanoic acid
SMILESCCC(OC1CCCCC1CN)C(=O)O
InChIInChI=1S/C11H21NO3/c1-2-9(11(13)14)15-10-6-4-3-5-8(10)7-12/h8-10H,2-7,12H2,1H3,(H,13,14)
InChIKeySMNLQFWJOXLEJO-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.38
Rot. Bonds5

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

2-[2-(aminomethyl)cyclohexyl]oxybutanoic acid (PubChem CID 106940249) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[2-(aminomethyl)cyclohexyl]oxybutanoic acid.

Molecular Properties

Compound Name2-[2-(aminomethyl)cyclohexyl]oxybutanoic acid
PubChem CID106940249
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-[2-(aminomethyl)cyclohexyl]oxybutanoic acid
SMILESCCC(OC1CCCCC1CN)C(=O)O
InChIInChI=1S/C11H21NO3/c1-2-9(11(13)14)15-10-6-4-3-5-8(10)7-12/h8-10H,2-7,12H2,1H3,(H,13,14)
InChIKeySMNLQFWJOXLEJO-UHFFFAOYSA-N
XLogP1.38
TPSA72.55 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 ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)cyclohexyl]oxypropanoic acid
CID 106940224
2-[2-(methylamino)cyclohexyl]oxybutanoic acid
CID 106941030
[2-(aminomethyl)cyclopentyl] methyl carbonate
CID 79336951
ethyl 2-(2-aminocyclopentyl)oxybutanoate
CID 106940805
[2-(aminomethyl)cyclopentyl] acetate
CID 174436226
[2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine
CID 43428867
2-(3-aminocyclohexyl)oxybutanoic acid
CID 106940597
N-[2-(aminomethyl)cyclopentyl]-2-cyclohexyloxybutanamide
CID 119603538
2-(4-methylcyclohexyl)oxybutanoic acid
CID 43808830
2-(cyclopentylmethoxy)butanoic acid
CID 66324485
ethyl 2-(2-ethylcyclohexyl)oxy-2-fluoroacetate
CID 79356654
[2-(aminomethyl)cyclopentyl] N,N-diethylcarbamate
CID 79338482

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)cyclohexyl]oxybutanoic acid?
The IUPAC name of 2-[2-(aminomethyl)cyclohexyl]oxybutanoic acid (CID 106940249) is 2-[2-(aminomethyl)cyclohexyl]oxybutanoic acid.
What is the SMILES notation for 2-[2-(aminomethyl)cyclohexyl]oxybutanoic acid?
The canonical SMILES for 2-[2-(aminomethyl)cyclohexyl]oxybutanoic acid is CCC(OC1CCCCC1CN)C(=O)O.
What is the InChIKey of 2-[2-(aminomethyl)cyclohexyl]oxybutanoic acid?
The InChIKey is SMNLQFWJOXLEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-2-9(11(13)14)15-10-6-4-3-5-8(10)7-12/h8-10H,2-7,12H2,1H3,(H,13,14).
What are the key properties of 2-[2-(aminomethyl)cyclohexyl]oxybutanoic acid?
2-[2-(aminomethyl)cyclohexyl]oxybutanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)cyclohexyl]oxybutanoic acid is sourced from PubChem (CID 106940249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).