2-[cyclohexyl(ethyl)amino]cyclobutane-1-carboxylic acid

C13H23NO2 — CID 80997243

IUPAC2-[cyclohexyl(ethyl)amino]cyclobutane-1-carboxylic acid
SMILESCCN(C1CCCCC1)C1CCC1C(=O)O
InChIInChI=1S/C13H23NO2/c1-2-14(10-6-4-3-5-7-10)12-9-8-11(12)13(15)16/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyOVIGFNRSYPNCBQ-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.50
Rot. Bonds4

About 2-[cyclohexyl(ethyl)amino]cyclobutane-1-carboxylic acid

2-[cyclohexyl(ethyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 80997243) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-[cyclohexyl(ethyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[cyclohexyl(ethyl)amino]cyclobutane-1-carboxylic acid
PubChem CID80997243
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-[cyclohexyl(ethyl)amino]cyclobutane-1-carboxylic acid
SMILESCCN(C1CCCCC1)C1CCC1C(=O)O
InChIInChI=1S/C13H23NO2/c1-2-14(10-6-4-3-5-7-10)12-9-8-11(12)13(15)16/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyOVIGFNRSYPNCBQ-UHFFFAOYSA-N
XLogP2.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropyl(ethyl)amino]cycloheptane-1-carboxylic acid
CID 63068767
2-[cycloheptyl(methyl)amino]cyclobutane-1-carboxylic acid
CID 80996383
2-[cyclohexyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 16792487
2-[cyclopropyl(2-methoxyethyl)amino]cycloheptane-1-carboxylic acid
CID 63074524
2-[cycloheptyl(methyl)amino]-4-propylcyclohexane-1-carboxylic acid
CID 63069511
N-cyclohexyl-N-ethyl-2-methylcyclopropane-1-carboxamide
CID 78833407
1-N-cyclopentyl-1-N-ethylcycloheptane-1,2-diamine
CID 43541082
2-(dicyclohexylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60790595
4-[cyclohexyl(ethyl)amino]pyrrolidin-3-ol
CID 63703140
4-[ethyl(thian-4-yl)amino]oxolane-3-carboxylic acid
CID 66245719
2-(dipropylamino)cyclopentane-1-carboxylic acid
CID 63067720
N-cyclopentyl-N-ethyl-4-methylcyclohexan-1-amine
CID 58662071

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(ethyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[cyclohexyl(ethyl)amino]cyclobutane-1-carboxylic acid (CID 80997243) is 2-[cyclohexyl(ethyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[cyclohexyl(ethyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[cyclohexyl(ethyl)amino]cyclobutane-1-carboxylic acid is CCN(C1CCCCC1)C1CCC1C(=O)O.
What is the InChIKey of 2-[cyclohexyl(ethyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is OVIGFNRSYPNCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-14(10-6-4-3-5-7-10)12-9-8-11(12)13(15)16/h10-12H,2-9H2,1H3,(H,15,16).
What are the key properties of 2-[cyclohexyl(ethyl)amino]cyclobutane-1-carboxylic acid?
2-[cyclohexyl(ethyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 225.33 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(ethyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 80997243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).