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

C10H17NO5S — CID 79558305

IUPAC2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(C)(CNC(=O)C1CC1C(=O)O)S(C)(=O)=O
InChIInChI=1S/C10H17NO5S/c1-10(2,17(3,15)16)5-11-8(12)6-4-7(6)9(13)14/h6-7H,4-5H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyFWFKFYORGSEBRC-UHFFFAOYSA-N
MW263.31 g/mol
LogP-0.35
Rot. Bonds5

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

2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 79558305) has the molecular formula C10H17NO5S and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID79558305
Molecular FormulaC10H17NO5S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(C)(CNC(=O)C1CC1C(=O)O)S(C)(=O)=O
InChIInChI=1S/C10H17NO5S/c1-10(2,17(3,15)16)5-11-8(12)6-4-7(6)9(13)14/h6-7H,4-5H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyFWFKFYORGSEBRC-UHFFFAOYSA-N
XLogP-0.35
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114391167
2-(ethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 45084458
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
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
2-[(1-methylcyclopropyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 103790364
1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]azetidine-3-carboxylic acid
CID 79557763
cis-(1R,2S)-2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 124571467
N-(2-amino-2-methylpropyl)-2-methylcyclopropane-1-carboxamide
CID 81483791
2-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-2-oxoacetamide
CID 79557245
2-(4-hydroxypentylcarbamoyl)cyclopropane-1-carboxylic acid
CID 106120324

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 79558305) is 2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopropane-1-carboxylic acid is CC(C)(CNC(=O)C1CC1C(=O)O)S(C)(=O)=O.
What is the InChIKey of 2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is FWFKFYORGSEBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5S/c1-10(2,17(3,15)16)5-11-8(12)6-4-7(6)9(13)14/h6-7H,4-5H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 263.31 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 79558305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).