2-[(2-propylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid

C14H23NO3 — CID 114110539

IUPAC2-[(2-propylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCCC1CC1NC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C14H23NO3/c1-2-5-9-8-12(9)15-13(16)10-6-3-4-7-11(10)14(17)18/h9-12H,2-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyFRIJMKKPQVGZIC-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.18
Rot. Bonds5

About 2-[(2-propylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid

2-[(2-propylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 114110539) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-[(2-propylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-propylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID114110539
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-[(2-propylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCCC1CC1NC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C14H23NO3/c1-2-5-9-8-12(9)15-13(16)10-6-3-4-7-11(10)14(17)18/h9-12H,2-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyFRIJMKKPQVGZIC-UHFFFAOYSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-propylcyclopropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 106704168
2-amino-N-(2-propylcyclopropyl)cycloheptane-1-carboxamide
CID 113267243
cis-(1S,2R)-2-methyl-N-[(1S,2R)-2-propylcyclohexyl]cyclopropane-1-carboxamide
CID 124840040
trans-(1S,2S)-2-[[(1S,2R)-2-[[(1S,2R)-2-carboxycyclohexanecarbonyl]amino]cyclohexyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124780718
cis-(1S,2R)-2-[(3-methylcyclopentyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 114093102
4-[(2-propylcyclopropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 114111471
4,5-dipropylcyclohexane-1,2-dicarboxylic acid
CID 58183345
1-methyl-3-[(1R,2R)-2-propylcyclopropyl]urea
CID 130628740
2-[(1-propylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 17376897
2-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 107175594
cis-(1S,2R)-2-[(4-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114091666
2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 80717724

Frequently Asked Questions

What is the IUPAC name of 2-[(2-propylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2-propylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 114110539) is 2-[(2-propylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-propylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2-propylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid is CCCC1CC1NC(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-[(2-propylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is FRIJMKKPQVGZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-2-5-9-8-12(9)15-13(16)10-6-3-4-7-11(10)14(17)18/h9-12H,2-8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(2-propylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid?
2-[(2-propylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114110539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).