1-(3-aminobutyl)cyclohexane-1-carboxylic acid

C11H21NO2 — CID 174943817

IUPAC1-(3-aminobutyl)cyclohexane-1-carboxylic acid
SMILESCC(N)CCC1(C(=O)O)CCCCC1
InChIInChI=1S/C11H21NO2/c1-9(12)5-8-11(10(13)14)6-3-2-4-7-11/h9H,2-8,12H2,1H3,(H,13,14)
InChIKeyFEYYAJPFZRSFKB-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.15
Rot. Bonds4

About 1-(3-aminobutyl)cyclohexane-1-carboxylic acid

1-(3-aminobutyl)cyclohexane-1-carboxylic acid (PubChem CID 174943817) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(3-aminobutyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-aminobutyl)cyclohexane-1-carboxylic acid
PubChem CID174943817
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(3-aminobutyl)cyclohexane-1-carboxylic acid
SMILESCC(N)CCC1(C(=O)O)CCCCC1
InChIInChI=1S/C11H21NO2/c1-9(12)5-8-11(10(13)14)6-3-2-4-7-11/h9H,2-8,12H2,1H3,(H,13,14)
InChIKeyFEYYAJPFZRSFKB-UHFFFAOYSA-N
XLogP2.15
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-propylcyclooctane-1-carboxylic acid
CID 80611944
1-(2-propan-2-ylsulfonylethyl)cyclohexane-1-carboxylic acid
CID 106727790
1-(2-propan-2-ylsulfonylethyl)cycloheptane-1-carboxylic acid
CID 106734099
ethyl 1-(4-aminopentyl)cyclohexane-1-carboxylate
CID 143346476
1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid
CID 19090977
1-(2-hydroxyethyl)cyclohexane-1-carboxylic acid
CID 3060307
1-[2-(3-methylbutoxy)ethyl]cyclopentane-1-carboxylic acid
CID 62739552
1-(2-carboxyethyl)cyclodecane-1-carboxylic acid
CID 66633361
1-[(3-propan-2-ylazetidin-1-yl)methyl]cycloheptane-1-carboxylic acid
CID 113310916
1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid
CID 54469920
1-[(5-aminohexanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 82853421
1-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436415

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminobutyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(3-aminobutyl)cyclohexane-1-carboxylic acid (CID 174943817) is 1-(3-aminobutyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(3-aminobutyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(3-aminobutyl)cyclohexane-1-carboxylic acid is CC(N)CCC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(3-aminobutyl)cyclohexane-1-carboxylic acid?
The InChIKey is FEYYAJPFZRSFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(12)5-8-11(10(13)14)6-3-2-4-7-11/h9H,2-8,12H2,1H3,(H,13,14).
What are the key properties of 1-(3-aminobutyl)cyclohexane-1-carboxylic acid?
1-(3-aminobutyl)cyclohexane-1-carboxylic acid has a molecular weight of 199.29 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminobutyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 174943817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).