2-(4-ethylazepan-1-yl)cyclobutane-1-carboxylic acid

C13H23NO2 — CID 80995975

IUPAC2-(4-ethylazepan-1-yl)cyclobutane-1-carboxylic acid
SMILESCCC1CCCN(C2CCC2C(=O)O)CC1
InChIInChI=1S/C13H23NO2/c1-2-10-4-3-8-14(9-7-10)12-6-5-11(12)13(15)16/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyVKXSDIJLLLSTQL-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.36
Rot. Bonds3

About 2-(4-ethylazepan-1-yl)cyclobutane-1-carboxylic acid

2-(4-ethylazepan-1-yl)cyclobutane-1-carboxylic acid (PubChem CID 80995975) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-(4-ethylazepan-1-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethylazepan-1-yl)cyclobutane-1-carboxylic acid
PubChem CID80995975
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-(4-ethylazepan-1-yl)cyclobutane-1-carboxylic acid
SMILESCCC1CCCN(C2CCC2C(=O)O)CC1
InChIInChI=1S/C13H23NO2/c1-2-10-4-3-8-14(9-7-10)12-6-5-11(12)13(15)16/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyVKXSDIJLLLSTQL-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylic acid
CID 75987984
trans-(1R,2R)-2-(4-ethylazepan-1-yl)cyclopentan-1-ol
CID 102734787
2-(4-hydroxypiperidin-1-yl)cyclobutane-1-carboxylic acid
CID 80997459
1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylic acid
CID 82653045
(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid
CID 7758382
2-(4-ethylazepane-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391052
2-(3-hydroxypiperidin-1-yl)cyclobutane-1-carboxylic acid
CID 80996172
4-ethyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexane-1-carboxylic acid
CID 79935356
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-ethylcyclohexane-1-carboxylic acid
CID 63067084
2-(3-propoxypiperidin-1-yl)cyclobutane-1-carboxylic acid
CID 80996695
2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-ethylcyclohexane-1-carboxylic acid
CID 63068626
2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclobutane-1-carboxylic acid
CID 80997151

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylazepan-1-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(4-ethylazepan-1-yl)cyclobutane-1-carboxylic acid (CID 80995975) is 2-(4-ethylazepan-1-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(4-ethylazepan-1-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(4-ethylazepan-1-yl)cyclobutane-1-carboxylic acid is CCC1CCCN(C2CCC2C(=O)O)CC1.
What is the InChIKey of 2-(4-ethylazepan-1-yl)cyclobutane-1-carboxylic acid?
The InChIKey is VKXSDIJLLLSTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-10-4-3-8-14(9-7-10)12-6-5-11(12)13(15)16/h10-12H,2-9H2,1H3,(H,15,16).
What are the key properties of 2-(4-ethylazepan-1-yl)cyclobutane-1-carboxylic acid?
2-(4-ethylazepan-1-yl)cyclobutane-1-carboxylic acid has a molecular weight of 225.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylazepan-1-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 80995975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).