2-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]cyclopentane-1-carboxylic acid

C12H21NO4 — CID 103979063

IUPAC2-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC(C)(CO)CNC(=O)C1CCCC1C(=O)O
InChIInChI=1S/C12H21NO4/c1-12(2,7-14)6-13-10(15)8-4-3-5-9(8)11(16)17/h8-9,14H,3-7H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyZENHBXXGZIRTCD-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.62
Rot. Bonds5

About 2-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]cyclopentane-1-carboxylic acid

2-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103979063) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103979063
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name2-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC(C)(CO)CNC(=O)C1CCCC1C(=O)O
InChIInChI=1S/C12H21NO4/c1-12(2,7-14)6-13-10(15)8-4-3-5-9(8)11(16)17/h8-9,14H,3-7H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyZENHBXXGZIRTCD-UHFFFAOYSA-N
XLogP0.62
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 ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2,2-trifluoroethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103977876
2-(2,2,2-trifluoroethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 43396587
cis-(1S,2R)-1-N,2-N-bis(2,2,2-trifluoroethyl)cyclopentane-1,2-dicarboxamide
CID 97068565
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 107846643
2-[(1-hydroxy-2-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978846
cis-(1S,2R)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 114092685
2-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 113361167
2-(prop-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103977753
cis-(1S,2R)-2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 106167862
2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 107214513
2-(2-cyclobutylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 115752919
2-[[(2R)-2-hydroxypropyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 107214739

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103979063) is 2-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]cyclopentane-1-carboxylic acid is CC(C)(CO)CNC(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is ZENHBXXGZIRTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-12(2,7-14)6-13-10(15)8-4-3-5-9(8)11(16)17/h8-9,14H,3-7H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]cyclopentane-1-carboxylic acid?
2-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 243.30 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103979063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).