2-(3-aminocyclohexyl)oxybutanoic acid

C10H19NO3 — CID 106940597

IUPAC2-(3-aminocyclohexyl)oxybutanoic acid
SMILESCCC(OC1CCCC(N)C1)C(=O)O
InChIInChI=1S/C10H19NO3/c1-2-9(10(12)13)14-8-5-3-4-7(11)6-8/h7-9H,2-6,11H2,1H3,(H,12,13)
InChIKeyYHEXBMPATBSLHR-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.14
Rot. Bonds4

About 2-(3-aminocyclohexyl)oxybutanoic acid

2-(3-aminocyclohexyl)oxybutanoic acid (PubChem CID 106940597) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)oxybutanoic acid.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)oxybutanoic acid
PubChem CID106940597
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-(3-aminocyclohexyl)oxybutanoic acid
SMILESCCC(OC1CCCC(N)C1)C(=O)O
InChIInChI=1S/C10H19NO3/c1-2-9(10(12)13)14-8-5-3-4-7(11)6-8/h7-9H,2-6,11H2,1H3,(H,12,13)
InChIKeyYHEXBMPATBSLHR-UHFFFAOYSA-N
XLogP1.14
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylcyclohexyl)oxybutanoic acid
CID 43808830
1-(3-aminopiperidin-1-yl)-2-(3-methylcyclohexyl)oxybutan-1-one;hydrochloride
CID 119379471
2-(3-aminocyclohexyl)oxy-N-propan-2-ylpropanamide
CID 79465179
1-(3-aminocyclohexyl)propane-1-sulfonic acid
CID 22073446
3-(1-ethoxypropan-2-yloxy)cyclohexan-1-amine
CID 103487552
cis-(1R,3S)-3-(difluoromethoxy)cyclohexan-1-amine
CID 99707198
trans-(1S,3S)-3-(difluoromethoxy)cyclohexan-1-amine
CID 99707197
2-(3-aminocyclohexyl)oxy-N-tert-butylpropanamide
CID 79466116
2-[2-(aminomethyl)cyclohexyl]oxybutanoic acid
CID 106940249
3-[2-cyclopentyloxybutanoyl(methyl)amino]-2-methylpropanoic acid
CID 119228312
1-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclopentyloxybutan-1-one
CID 119410162
1-(4-aminopiperidin-1-yl)-2-cyclohexyloxybutan-1-one;hydrochloride
CID 119375428

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)oxybutanoic acid?
The IUPAC name of 2-(3-aminocyclohexyl)oxybutanoic acid (CID 106940597) is 2-(3-aminocyclohexyl)oxybutanoic acid.
What is the SMILES notation for 2-(3-aminocyclohexyl)oxybutanoic acid?
The canonical SMILES for 2-(3-aminocyclohexyl)oxybutanoic acid is CCC(OC1CCCC(N)C1)C(=O)O.
What is the InChIKey of 2-(3-aminocyclohexyl)oxybutanoic acid?
The InChIKey is YHEXBMPATBSLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-9(10(12)13)14-8-5-3-4-7(11)6-8/h7-9H,2-6,11H2,1H3,(H,12,13).
What are the key properties of 2-(3-aminocyclohexyl)oxybutanoic acid?
2-(3-aminocyclohexyl)oxybutanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)oxybutanoic acid is sourced from PubChem (CID 106940597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).