2-(3-ethylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid

C15H27NO3 — CID 63841768

IUPAC2-(3-ethylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESCCC(CC)C(C)NC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C15H27NO3/c1-4-11(5-2)10(3)16-14(17)12-8-6-7-9-13(12)15(18)19/h10-13H,4-9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyVFPPRSWHEZOKIP-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.82
Rot. Bonds6

About 2-(3-ethylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid

2-(3-ethylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 63841768) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-(3-ethylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-ethylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID63841768
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-(3-ethylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESCCC(CC)C(C)NC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C15H27NO3/c1-4-11(5-2)10(3)16-14(17)12-8-6-7-9-13(12)15(18)19/h10-13H,4-9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyVFPPRSWHEZOKIP-UHFFFAOYSA-N
XLogP2.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978580
cis-(1R,2S)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 724026
2-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide
CID 63841135
2-[[(2S)-1-hydroxybutan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 107214907
cis-(1S,2R)-2-[[(2S)-heptan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 40579347
cis-(1S,2R)-2-[(3-ethyl-2-hydroxypentyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 106284398
cis-(1S,2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 106344045
2-[[(1R)-1-cyclopentylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103979033
2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 107214513
N-(3-ethylpentan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 63843859
cis-(1S,2R)-2-(1-cyclopropylbutan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114092378
2-(2,2,5-trimethylhexan-3-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 71041761

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(3-ethylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid (CID 63841768) is 2-(3-ethylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(3-ethylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(3-ethylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid is CCC(CC)C(C)NC(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-(3-ethylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is VFPPRSWHEZOKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-4-11(5-2)10(3)16-14(17)12-8-6-7-9-13(12)15(18)19/h10-13H,4-9H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-(3-ethylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid?
2-(3-ethylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 269.38 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63841768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).