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

C12H21NO4 — CID 103978846

IUPAC2-[(1-hydroxy-2-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC(C)(CO)NC(=O)C1CCCC1C(=O)O
InChIInChI=1S/C12H21NO4/c1-3-12(2,7-14)13-10(15)8-5-4-6-9(8)11(16)17/h8-9,14H,3-7H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyCOFTXJAFWPXUQM-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.76
Rot. Bonds5

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

2-[(1-hydroxy-2-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103978846) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-[(1-hydroxy-2-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1-hydroxy-2-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103978846
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name2-[(1-hydroxy-2-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC(C)(CO)NC(=O)C1CCCC1C(=O)O
InChIInChI=1S/C12H21NO4/c1-3-12(2,7-14)13-10(15)8-5-4-6-9(8)11(16)17/h8-9,14H,3-7H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyCOFTXJAFWPXUQM-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-(1S,2R)-2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 106167862
2-amino-N-(1-hydroxy-2-methylbutan-2-yl)cyclopentane-1-carboxamide
CID 64852632
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 107846643
2-(2-methylbutan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 43529282
2-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103979063
1-acetyl-N-(1-hydroxy-2-methylbutan-2-yl)piperidine-3-carboxamide
CID 64558362
2-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 113361167
cis-(1S,2R)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 114092685
(3R)-3-methyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]pentanoic acid
CID 129446298
N-(1-bromo-2-methylbutan-2-yl)cyclopentanecarboxamide
CID 114314310
2-(prop-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103977753
3-(3-methylpentan-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 106330490

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-2-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(1-hydroxy-2-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103978846) is 2-[(1-hydroxy-2-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(1-hydroxy-2-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(1-hydroxy-2-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid is CCC(C)(CO)NC(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[(1-hydroxy-2-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is COFTXJAFWPXUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-3-12(2,7-14)13-10(15)8-5-4-6-9(8)11(16)17/h8-9,14H,3-7H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-[(1-hydroxy-2-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
2-[(1-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 2-[(1-hydroxy-2-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103978846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).