3-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid

C15H25NO3 — CID 103952602

IUPAC3-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(C)C1(CNC(=O)C2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C15H25NO3/c1-10(2)15(6-7-15)9-16-13(17)11-4-3-5-12(8-11)14(18)19/h10-12H,3-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyOSDIOMUPHBUKKZ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.43
Rot. Bonds5

About 3-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid

3-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 103952602) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID103952602
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name3-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(C)C1(CNC(=O)C2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C15H25NO3/c1-10(2)15(6-7-15)9-16-13(17)11-4-3-5-12(8-11)14(18)19/h10-12H,3-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyOSDIOMUPHBUKKZ-UHFFFAOYSA-N
XLogP2.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114114619
cis-(1R,2S)-4-methyl-2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114114631
3-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 107164990
3-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 63782619
3-(2-methylbutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63783173
3-[3-(methylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 55236170
3-(cyclobutylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789913
(3S)-3-(methylcarbamoyl)cyclohexane-1-carboxylic acid
CID 54034306
3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103551301
cis-(1S,3R)-3-[[(1S,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 166254108
3-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119812295
(2S,4S)-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120641285

Frequently Asked Questions

What is the IUPAC name of 3-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid (CID 103952602) is 3-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid is CC(C)C1(CNC(=O)C2CCCC(C(=O)O)C2)CC1.
What is the InChIKey of 3-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is OSDIOMUPHBUKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-10(2)15(6-7-15)9-16-13(17)11-4-3-5-12(8-11)14(18)19/h10-12H,3-9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
3-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 103952602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).