3-[butan-2-yl(butyl)carbamoyl]cyclopentane-1-carboxylic acid

C15H27NO3 — CID 103550345

IUPAC3-[butan-2-yl(butyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCCCN(C(=O)C1CCC(C(=O)O)C1)C(C)CC
InChIInChI=1S/C15H27NO3/c1-4-6-9-16(11(3)5-2)14(17)12-7-8-13(10-12)15(18)19/h11-13H,4-10H2,1-3H3,(H,18,19)
InChIKeyAJDSCXLLFIMYAV-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.91
Rot. Bonds7

About 3-[butan-2-yl(butyl)carbamoyl]cyclopentane-1-carboxylic acid

3-[butan-2-yl(butyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103550345) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 3-[butan-2-yl(butyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[butan-2-yl(butyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103550345
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name3-[butan-2-yl(butyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCCCN(C(=O)C1CCC(C(=O)O)C1)C(C)CC
InChIInChI=1S/C15H27NO3/c1-4-6-9-16(11(3)5-2)14(17)12-7-8-13(10-12)15(18)19/h11-13H,4-10H2,1-3H3,(H,18,19)
InChIKeyAJDSCXLLFIMYAV-UHFFFAOYSA-N
XLogP2.91
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-butan-2-yl-N-butyl-3-methylcyclohexane-1-carboxamide
CID 62781228
3-[butan-2-yl(ethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549713
N-butan-2-yl-N-butyl-2-methylcyclopropane-1-carboxamide
CID 78858376
3-amino-N-butan-2-yl-N-ethyl-4-methylcyclohexane-1-carboxamide
CID 62782504
2-[pentan-2-yl(pentyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975571
3-[methyl(pentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549901
3-[ethyl(3-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103551173
2-amino-N-butan-2-yl-N-butyl-3-methylcyclohexane-1-carboxamide
CID 62781384
N-butan-2-yl-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 78858369
3-[methyl(4-methylpentan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550328
3-amino-N-butan-2-yl-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 66010253
1-[butan-2-yl(butyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60950199

Frequently Asked Questions

What is the IUPAC name of 3-[butan-2-yl(butyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[butan-2-yl(butyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103550345) is 3-[butan-2-yl(butyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[butan-2-yl(butyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[butan-2-yl(butyl)carbamoyl]cyclopentane-1-carboxylic acid is CCCCN(C(=O)C1CCC(C(=O)O)C1)C(C)CC.
What is the InChIKey of 3-[butan-2-yl(butyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is AJDSCXLLFIMYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-4-6-9-16(11(3)5-2)14(17)12-7-8-13(10-12)15(18)19/h11-13H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 3-[butan-2-yl(butyl)carbamoyl]cyclopentane-1-carboxylic acid?
3-[butan-2-yl(butyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 269.38 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl(butyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103550345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).