2-(2-ethylhexylcarbamoyl)cyclobutane-1-carboxylic acid

C14H25NO3 — CID 120974196

IUPAC2-(2-ethylhexylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESCCCCC(CC)CNC(=O)C1CCC1C(=O)O
InChIInChI=1S/C14H25NO3/c1-3-5-6-10(4-2)9-15-13(16)11-7-8-12(11)14(17)18/h10-12H,3-9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyMJJVWEZPVCZCPL-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.43
Rot. Bonds8

About 2-(2-ethylhexylcarbamoyl)cyclobutane-1-carboxylic acid

2-(2-ethylhexylcarbamoyl)cyclobutane-1-carboxylic acid (PubChem CID 120974196) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(2-ethylhexylcarbamoyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethylhexylcarbamoyl)cyclobutane-1-carboxylic acid
PubChem CID120974196
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-(2-ethylhexylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESCCCCC(CC)CNC(=O)C1CCC1C(=O)O
InChIInChI=1S/C14H25NO3/c1-3-5-6-10(4-2)9-15-13(16)11-7-8-12(11)14(17)18/h10-12H,3-9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyMJJVWEZPVCZCPL-UHFFFAOYSA-N
XLogP2.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethylhexyl)piperidine-4-carboxamide
CID 61249053
cis-(1R,2S)-2-[(2-ethyl-4-hydroxybutyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114092602
(2S,4S)-N-(2-ethylhexyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120615953
2-(2-ethylhexyl)cyclopentane-1-carboxylic acid
CID 81008544
2-(2-ethylhexyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81020903
N-(2-ethylhexyl)-1-phenylpiperidine-4-carboxamide
CID 17152439
1-(2-ethylhexylcarbamoyl)piperidine-4-carboxylic acid
CID 107817441
1-(2-ethylhexylcarbamoyl)cyclopropane-1-carboxylic acid
CID 103941259
(3R)-N-(2-ethylhexyl)piperidine-3-carboxamide
CID 81141050
N-(2-ethylhexyl)piperidine-2-carboxamide;hydrochloride
CID 119261605
2-(cyclopropylamino)-N-(2-ethylhexyl)acetamide
CID 54773137
1-(2-ethylhexylcarbamoyl)piperidine-3-carboxylic acid
CID 107817343

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexylcarbamoyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(2-ethylhexylcarbamoyl)cyclobutane-1-carboxylic acid (CID 120974196) is 2-(2-ethylhexylcarbamoyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(2-ethylhexylcarbamoyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(2-ethylhexylcarbamoyl)cyclobutane-1-carboxylic acid is CCCCC(CC)CNC(=O)C1CCC1C(=O)O.
What is the InChIKey of 2-(2-ethylhexylcarbamoyl)cyclobutane-1-carboxylic acid?
The InChIKey is MJJVWEZPVCZCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-3-5-6-10(4-2)9-15-13(16)11-7-8-12(11)14(17)18/h10-12H,3-9H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-(2-ethylhexylcarbamoyl)cyclobutane-1-carboxylic acid?
2-(2-ethylhexylcarbamoyl)cyclobutane-1-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexylcarbamoyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120974196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).