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

C15H26N2O3 — CID 64818273

IUPAC2-[[butyl(cyclopropyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCCCCN(C(=O)NC1CCCCC1C(=O)O)C1CC1
InChIInChI=1S/C15H26N2O3/c1-2-3-10-17(11-8-9-11)15(20)16-13-7-5-4-6-12(13)14(18)19/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyDBPMBTUYBMJROK-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.60
Rot. Bonds6

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

2-[[butyl(cyclopropyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 64818273) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[[butyl(cyclopropyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[butyl(cyclopropyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID64818273
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[[butyl(cyclopropyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCCCCN(C(=O)NC1CCCCC1C(=O)O)C1CC1
InChIInChI=1S/C15H26N2O3/c1-2-3-10-17(11-8-9-11)15(20)16-13-7-5-4-6-12(13)14(18)19/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyDBPMBTUYBMJROK-UHFFFAOYSA-N
XLogP2.60
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[cyclopropyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 64816508
2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64815568
2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 64816348
3-[[butyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66030439
1-butyl-1,3-dicyclopropylurea
CID 115579407
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
2-(2-ethylhexanoylamino)cyclohexane-1-carboxylic acid
CID 64814795
2-(2-aminohexanoylamino)cyclohexane-1-carboxylic acid
CID 64817389
N-[butyl(cyclopropyl)carbamoyl]-2-chloroacetamide
CID 61444001
1-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115434120

Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(cyclopropyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[butyl(cyclopropyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (CID 64818273) is 2-[[butyl(cyclopropyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[butyl(cyclopropyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[butyl(cyclopropyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is CCCCN(C(=O)NC1CCCCC1C(=O)O)C1CC1.
What is the InChIKey of 2-[[butyl(cyclopropyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is DBPMBTUYBMJROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-3-10-17(11-8-9-11)15(20)16-13-7-5-4-6-12(13)14(18)19/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[[butyl(cyclopropyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
2-[[butyl(cyclopropyl)carbamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(cyclopropyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64818273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).