4-methyl-2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopentane-1-carboxylic acid

C13H23NO5S — CID 114391167

IUPAC4-methyl-2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)NCC(C)(C)S(C)(=O)=O)C1
InChIInChI=1S/C13H23NO5S/c1-8-5-9(10(6-8)12(16)17)11(15)14-7-13(2,3)20(4,18)19/h8-10H,5-7H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyZHDNQHXHOKXGKD-UHFFFAOYSA-N
MW305.40 g/mol
LogP0.67
Rot. Bonds5

About 4-methyl-2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopentane-1-carboxylic acid

4-methyl-2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114391167) has the molecular formula C13H23NO5S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-methyl-2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114391167
Molecular FormulaC13H23NO5S
Molecular Weight305.40 g/mol
Exact Mass305.13
IUPAC Name4-methyl-2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)NCC(C)(C)S(C)(=O)=O)C1
InChIInChI=1S/C13H23NO5S/c1-8-5-9(10(6-8)12(16)17)11(15)14-7-13(2,3)20(4,18)19/h8-10H,5-7H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyZHDNQHXHOKXGKD-UHFFFAOYSA-N
XLogP0.67
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-[(2-methyl-2-methylsulfonylpropyl)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

2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 79558305
cis-(1R,2S)-2-(2,2-dimethylbutylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114093176
2-[(2-methoxy-2-methylpropyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391338
4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114093430
2-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391355
2-[[2-(diethylamino)-2-oxoethyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391307
cis-(1R,2S)-2-(2,3-dimethylbutylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114092436
cis-(1R,2S)-2-(2,2-dimethylbutylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114093178
4-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)oxolane-3-carboxamide
CID 79549781
cis-(1R,2S)-2-(3-ethylpentan-3-ylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114092465
2-(3-cyclopentylpropylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 106003676
cis-(1R,2S)-2-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114092992

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 4-methyl-2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 114391167) is 4-methyl-2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-methyl-2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopentane-1-carboxylic acid is CC1CC(C(=O)O)C(C(=O)NCC(C)(C)S(C)(=O)=O)C1.
What is the InChIKey of 4-methyl-2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is ZHDNQHXHOKXGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5S/c1-8-5-9(10(6-8)12(16)17)11(15)14-7-13(2,3)20(4,18)19/h8-10H,5-7H2,1-4H3,(H,14,15)(H,16,17).
What are the key properties of 4-methyl-2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopentane-1-carboxylic acid?
4-methyl-2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 305.40 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114391167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).