4-[cyclopropyl(3-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid

C16H27NO3 — CID 78951224

IUPAC4-[cyclopropyl(3-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(C)CCN(C(=O)C1CCC(C(=O)O)CC1)C1CC1
InChIInChI=1S/C16H27NO3/c1-11(2)9-10-17(14-7-8-14)15(18)12-3-5-13(6-4-12)16(19)20/h11-14H,3-10H2,1-2H3,(H,19,20)
InChIKeyGCWOBEUINMMNJY-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.91
Rot. Bonds6

About 4-[cyclopropyl(3-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid

4-[cyclopropyl(3-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 78951224) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[cyclopropyl(3-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[cyclopropyl(3-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID78951224
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name4-[cyclopropyl(3-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(C)CCN(C(=O)C1CCC(C(=O)O)CC1)C1CC1
InChIInChI=1S/C16H27NO3/c1-11(2)9-10-17(14-7-8-14)15(18)12-3-5-13(6-4-12)16(19)20/h11-14H,3-10H2,1-2H3,(H,19,20)
InChIKeyGCWOBEUINMMNJY-UHFFFAOYSA-N
XLogP2.91
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[cyclopropyl(3-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1S,2R)-2-[cyclopropyl(3-methylbutyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93377490
(1S,6R)-6-[cyclopropyl(3-methylbutyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962165
(2S,4S)-N-cyclopropyl-2-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;hydrochloride
CID 120623080
4-[methyl(4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid
CID 115277291
2-bromo-N-cyclopropyl-N-(3-methylbutyl)acetamide
CID 63679316
2-[carboxymethyl-[cyclopropyl(3-methylbutyl)carbamoyl]amino]acetic acid
CID 78947635
1-[cyclopropyl(3-methylbutyl)carbamoyl]piperidine-2-carboxylic acid
CID 78974429
N-cyclopropyl-4-methyl-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 55230734
(2S)-N-cyclopropyl-N-(3-methylbutyl)piperidine-2-carboxamide
CID 93369841
5-[cyclopentyl(3-methylbutyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688711
4-[piperidin-4-yl(propyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782800
N-(2-aminoethyl)-N-cyclopropylcyclopropanecarboxamide
CID 61350147

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(3-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[cyclopropyl(3-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 78951224) is 4-[cyclopropyl(3-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[cyclopropyl(3-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[cyclopropyl(3-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid is CC(C)CCN(C(=O)C1CCC(C(=O)O)CC1)C1CC1.
What is the InChIKey of 4-[cyclopropyl(3-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is GCWOBEUINMMNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-11(2)9-10-17(14-7-8-14)15(18)12-3-5-13(6-4-12)16(19)20/h11-14H,3-10H2,1-2H3,(H,19,20).
What are the key properties of 4-[cyclopropyl(3-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid?
4-[cyclopropyl(3-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 281.40 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(3-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 78951224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).