2-[[cyclopropyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

C14H24N2O3 — CID 64816508

IUPAC2-[[cyclopropyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCCCN(C(=O)NC1CCCCC1C(=O)O)C1CC1
InChIInChI=1S/C14H24N2O3/c1-2-9-16(10-7-8-10)14(19)15-12-6-4-3-5-11(12)13(17)18/h10-12H,2-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyNQLAWUBUMFKKKL-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.21
Rot. Bonds5

About 2-[[cyclopropyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

2-[[cyclopropyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 64816508) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[[cyclopropyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[cyclopropyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID64816508
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[[cyclopropyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCCCN(C(=O)NC1CCCCC1C(=O)O)C1CC1
InChIInChI=1S/C14H24N2O3/c1-2-9-16(10-7-8-10)14(19)15-12-6-4-3-5-11(12)13(17)18/h10-12H,2-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyNQLAWUBUMFKKKL-UHFFFAOYSA-N
XLogP2.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[butyl(cyclopropyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 64818273
2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 64816348
2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64815568
2-[[cyclopentyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 64816118
2-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64815725
2-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 64816001
4-[cyclohexylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66254172
1-cyclopropyl-1-(2-hydroxyethyl)-3-[(1S,2S)-2-methoxycyclohexyl]urea
CID 96565800
3-[[butyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66030439
1-cyclopropyl-1-(2-hydroxyethyl)-3-[(1R,2R)-2-methoxycyclohexyl]urea
CID 96565801
2-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 107175594
cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid
CID 66806131

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[cyclopropyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (CID 64816508) is 2-[[cyclopropyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[cyclopropyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[cyclopropyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is CCCN(C(=O)NC1CCCCC1C(=O)O)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is NQLAWUBUMFKKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-9-16(10-7-8-10)14(19)15-12-6-4-3-5-11(12)13(17)18/h10-12H,2-9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[cyclopropyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
2-[[cyclopropyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64816508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).