3-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid

C12H21NO4 — CID 103551222

IUPAC3-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC(C)(CCO)NC(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C12H21NO4/c1-12(2,5-6-14)13-10(15)8-3-4-9(7-8)11(16)17/h8-9,14H,3-7H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyGUFDSLUYAMNZER-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.76
Rot. Bonds5

About 3-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid

3-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103551222) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 3-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103551222
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name3-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC(C)(CCO)NC(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C12H21NO4/c1-12(2,5-6-14)13-10(15)8-3-4-9(7-8)11(16)17/h8-9,14H,3-7H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyGUFDSLUYAMNZER-UHFFFAOYSA-N
XLogP0.76
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114092992
N-(4-hydroxy-2-methylbutan-2-yl)-2-methylcyclopropane-1-carboxamide
CID 115870127
N-(4-hydroxy-2-methylbutan-2-yl)cyclobutanecarboxamide
CID 115869890
(1S,6R)-6-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962747
4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)cyclohexane-1-carboxamide
CID 115968764
(2R,5S)-5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102945735
N-(4-hydroxy-2-methylbutan-2-yl)oxolane-3-carboxamide
CID 115869901
2-[(4-hydroxy-2-methylbutan-2-yl)amino]cyclobutane-1-carboxylic acid
CID 103267800
N-(4-hydroxy-2-methylbutan-2-yl)-3-methylpyrrolidine-2-carboxamide
CID 102780103
N-(4-hydroxy-2-methylbutan-2-yl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103944810
4-methyl-2-(2-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114391356
3-(cyclopropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549764

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103551222) is 3-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid is CC(C)(CCO)NC(=O)C1CCC(C(=O)O)C1.
What is the InChIKey of 3-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is GUFDSLUYAMNZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-12(2,5-6-14)13-10(15)8-3-4-9(7-8)11(16)17/h8-9,14H,3-7H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 3-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
3-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 243.30 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103551222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).