2-(2-ethylhexanoylamino)cyclohexane-1-carboxylic acid

C15H27NO3 — CID 64814795

IUPAC2-(2-ethylhexanoylamino)cyclohexane-1-carboxylic acid
SMILESCCCCC(CC)C(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C15H27NO3/c1-3-5-8-11(4-2)14(17)16-13-10-7-6-9-12(13)15(18)19/h11-13H,3-10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyRMJWZVJJWOSFRJ-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.96
Rot. Bonds7

About 2-(2-ethylhexanoylamino)cyclohexane-1-carboxylic acid

2-(2-ethylhexanoylamino)cyclohexane-1-carboxylic acid (PubChem CID 64814795) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-(2-ethylhexanoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethylhexanoylamino)cyclohexane-1-carboxylic acid
PubChem CID64814795
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-(2-ethylhexanoylamino)cyclohexane-1-carboxylic acid
SMILESCCCCC(CC)C(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C15H27NO3/c1-3-5-8-11(4-2)14(17)16-13-10-7-6-9-12(13)15(18)19/h11-13H,3-10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyRMJWZVJJWOSFRJ-UHFFFAOYSA-N
XLogP2.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-carbamothioylcyclopentyl)-2-ethylhexanamide
CID 62955192
2-(2-aminohexanoylamino)cyclohexane-1-carboxylic acid
CID 64817389
N-cyclopentyl-2-ethylhexanamide
CID 4146053
N-cyclooctyl-2-ethylhexanamide
CID 3989939
2-[2-(aminomethyl)pentanoylamino]cyclohexane-1-carboxylic acid
CID 65228027
2-(hexan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 64818299
N-(2-carbamothioylcyclopentyl)-2-ethylbutanamide
CID 62956227
2-[(5-amino-2-methylpentanoyl)amino]cycloheptane-1-carboxylic acid
CID 112547749
5-amino-N-cyclopentyl-2-ethylpentanamide
CID 112515263
2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclopentane-1-carboxylic acid
CID 64812508
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-ethylhexanamide
CID 61233106
(2R)-2-ethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide
CID 11379810

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexanoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2-ethylhexanoylamino)cyclohexane-1-carboxylic acid (CID 64814795) is 2-(2-ethylhexanoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2-ethylhexanoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2-ethylhexanoylamino)cyclohexane-1-carboxylic acid is CCCCC(CC)C(=O)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-(2-ethylhexanoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is RMJWZVJJWOSFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-3-5-8-11(4-2)14(17)16-13-10-7-6-9-12(13)15(18)19/h11-13H,3-10H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-(2-ethylhexanoylamino)cyclohexane-1-carboxylic acid?
2-(2-ethylhexanoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 269.38 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexanoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64814795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).