2-[(1-aminocyclohexyl)methoxy]butanoic acid

C11H21NO3 — CID 106940020

IUPAC2-[(1-aminocyclohexyl)methoxy]butanoic acid
SMILESCCC(OCC1(N)CCCCC1)C(=O)O
InChIInChI=1S/C11H21NO3/c1-2-9(10(13)14)15-8-11(12)6-4-3-5-7-11/h9H,2-8,12H2,1H3,(H,13,14)
InChIKeyKSRGRAPAGGPMGJ-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.53
Rot. Bonds5

About 2-[(1-aminocyclohexyl)methoxy]butanoic acid

2-[(1-aminocyclohexyl)methoxy]butanoic acid (PubChem CID 106940020) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[(1-aminocyclohexyl)methoxy]butanoic acid.

Molecular Properties

Compound Name2-[(1-aminocyclohexyl)methoxy]butanoic acid
PubChem CID106940020
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-[(1-aminocyclohexyl)methoxy]butanoic acid
SMILESCCC(OCC1(N)CCCCC1)C(=O)O
InChIInChI=1S/C11H21NO3/c1-2-9(10(13)14)15-8-11(12)6-4-3-5-7-11/h9H,2-8,12H2,1H3,(H,13,14)
InChIKeyKSRGRAPAGGPMGJ-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(1-aminocycloheptyl)methoxy]butanoate
CID 106940160
2-[(1-aminocycloheptyl)methoxy]-N-propan-2-ylpropanamide
CID 64551906
1-(pentan-2-yloxymethyl)cyclohexan-1-amine
CID 107891879
3-[[2-(1-aminocyclohexyl)acetyl]amino]-2-methoxypropanoic acid
CID 106108885
(2S,3S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methylpentanoic acid
CID 64678791
2-[1-(aminomethyl)cyclopentyl]oxybutanoic acid
CID 65050864
2-[(1-aminocycloheptyl)methoxy]-N-pentylpropanamide
CID 64551486
2-[(1-aminocyclopentyl)methoxy]-1-(azepan-1-yl)propan-1-one
CID 64572244
2-[(1-aminocyclohexyl)methoxy]-N-(ethylcarbamoyl)propanamide
CID 106938268
2-[(1-aminocycloheptyl)methoxy]-N-(2-methylbutan-2-yl)propanamide
CID 64548742
2-[(1-aminocycloheptyl)methoxy]-N-(2-methylpropyl)propanamide
CID 64551905
(1-aminocycloheptyl)methyl propan-2-yl carbonate
CID 79337960

Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocyclohexyl)methoxy]butanoic acid?
The IUPAC name of 2-[(1-aminocyclohexyl)methoxy]butanoic acid (CID 106940020) is 2-[(1-aminocyclohexyl)methoxy]butanoic acid.
What is the SMILES notation for 2-[(1-aminocyclohexyl)methoxy]butanoic acid?
The canonical SMILES for 2-[(1-aminocyclohexyl)methoxy]butanoic acid is CCC(OCC1(N)CCCCC1)C(=O)O.
What is the InChIKey of 2-[(1-aminocyclohexyl)methoxy]butanoic acid?
The InChIKey is KSRGRAPAGGPMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-2-9(10(13)14)15-8-11(12)6-4-3-5-7-11/h9H,2-8,12H2,1H3,(H,13,14).
What are the key properties of 2-[(1-aminocyclohexyl)methoxy]butanoic acid?
2-[(1-aminocyclohexyl)methoxy]butanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocyclohexyl)methoxy]butanoic acid is sourced from PubChem (CID 106940020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).