4-(2-propylpentanoylamino)cyclohexane-1-carboxylic acid

C15H27NO3 — CID 82985549

IUPAC4-(2-propylpentanoylamino)cyclohexane-1-carboxylic acid
SMILESCCCC(CCC)C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H27NO3/c1-3-5-11(6-4-2)14(17)16-13-9-7-12(8-10-13)15(18)19/h11-13H,3-10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyDZUFKXKJEZZVBS-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.96
Rot. Bonds7

About 4-(2-propylpentanoylamino)cyclohexane-1-carboxylic acid

4-(2-propylpentanoylamino)cyclohexane-1-carboxylic acid (PubChem CID 82985549) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 4-(2-propylpentanoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-propylpentanoylamino)cyclohexane-1-carboxylic acid
PubChem CID82985549
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name4-(2-propylpentanoylamino)cyclohexane-1-carboxylic acid
SMILESCCCC(CCC)C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H27NO3/c1-3-5-11(6-4-2)14(17)16-13-9-7-12(8-10-13)15(18)19/h11-13H,3-10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyDZUFKXKJEZZVBS-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

cis-(1R,3S)-3-[[(2R)-2-aminopentanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322988
3-(2-aminopentanoylamino)cyclopentane-1-carboxylic acid
CID 66031566
N-cyclopropyl-2-ethylbutanamide
CID 5151098
N-[(3R)-1-methylpyrrolidin-3-yl]-2-propylpentanamide
CID 167206837
(3S)-N-cyclopropyl-2,3-dihydroxyhexanamide
CID 123542351
4-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 61478888
N-[1-(cyanomethyl)piperidin-4-yl]-2-propylpentanamide
CID 115532353
2-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
CID 65225132
4-[[methyl(pentan-3-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61202146
4-(5-methylhexanoylamino)cyclohexane-1-carboxylic acid
CID 115277307
2-(aminomethyl)-N-(4-phenylcyclohexyl)pentanamide
CID 65225560
(3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide
CID 23634853

Frequently Asked Questions

What is the IUPAC name of 4-(2-propylpentanoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2-propylpentanoylamino)cyclohexane-1-carboxylic acid (CID 82985549) is 4-(2-propylpentanoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2-propylpentanoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2-propylpentanoylamino)cyclohexane-1-carboxylic acid is CCCC(CCC)C(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(2-propylpentanoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is DZUFKXKJEZZVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-3-5-11(6-4-2)14(17)16-13-9-7-12(8-10-13)15(18)19/h11-13H,3-10H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 4-(2-propylpentanoylamino)cyclohexane-1-carboxylic acid?
4-(2-propylpentanoylamino)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 4-(2-propylpentanoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 82985549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).