4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid

C11H16F3NO4 — CID 114093430

IUPAC4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)NCC(O)C(F)(F)F)C1
InChIInChI=1S/C11H16F3NO4/c1-5-2-6(7(3-5)10(18)19)9(17)15-4-8(16)11(12,13)14/h5-8,16H,2-4H2,1H3,(H,15,17)(H,18,19)
InChIKeyQAWJJDLQURMESK-UHFFFAOYSA-N
MW283.25 g/mol
LogP0.77
Rot. Bonds4

About 4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid

4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114093430) has the molecular formula C11H16F3NO4 and a molecular weight of 283.25 g/mol. Its IUPAC name is 4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114093430
Molecular FormulaC11H16F3NO4
Molecular Weight283.25 g/mol
Exact Mass283.10
IUPAC Name4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)NCC(O)C(F)(F)F)C1
InChIInChI=1S/C11H16F3NO4/c1-5-2-6(7(3-5)10(18)19)9(17)15-4-8(16)11(12,13)14/h5-8,16H,2-4H2,1H3,(H,15,17)(H,18,19)
InChIKeyQAWJJDLQURMESK-UHFFFAOYSA-N
XLogP0.77
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1R,2S)-2-(2,3-dimethylbutylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114092436
2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide
CID 102953523
2-[[2-(dimethylamino)-3-methylbutyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390540
cis-(1R,2S)-2-(2,2-dimethylbutylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114093176
4-methyl-2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114391167
cis-(1R,2S)-2-[(2-ethyl-4-hydroxybutyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114092602
2-[(2-methoxy-2-methylpropyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391338
N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentanecarboxamide
CID 103723234
4-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390973
5-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-2-carboxamide
CID 103773766
3-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119744739
cis-(1R,2S)-4-methyl-2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114114631

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 114093430) is 4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid is CC1CC(C(=O)O)C(C(=O)NCC(O)C(F)(F)F)C1.
What is the InChIKey of 4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is QAWJJDLQURMESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO4/c1-5-2-6(7(3-5)10(18)19)9(17)15-4-8(16)11(12,13)14/h5-8,16H,2-4H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid?
4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 283.25 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114093430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).