2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

C11H20N2O5S — CID 79864609

IUPAC2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCN(CCS(C)(=O)=O)C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C11H20N2O5S/c1-13(6-7-19(2,17)18)11(16)12-9-5-3-4-8(9)10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyFAEGRTFONRNFCM-UHFFFAOYSA-N
MW292.36 g/mol
LogP-0.07
Rot. Bonds5

About 2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 79864609) has the molecular formula C11H20N2O5S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID79864609
Molecular FormulaC11H20N2O5S
Molecular Weight292.36 g/mol
Exact Mass292.11
IUPAC Name2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCN(CCS(C)(=O)=O)C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C11H20N2O5S/c1-13(6-7-19(2,17)18)11(16)12-9-5-3-4-8(9)10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyFAEGRTFONRNFCM-UHFFFAOYSA-N
XLogP-0.07
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (CID 79864609) is 2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is CN(CCS(C)(=O)=O)C(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is FAEGRTFONRNFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5S/c1-13(6-7-19(2,17)18)11(16)12-9-5-3-4-8(9)10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 292.36 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79864609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).