2-[cyclopentyl(methylsulfonyl)amino]acetic acid

C8H15NO4S — CID 60828947

IUPAC2-[cyclopentyl(methylsulfonyl)amino]acetic acid
SMILESCS(=O)(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C8H15NO4S/c1-14(12,13)9(6-8(10)11)7-4-2-3-5-7/h7H,2-6H2,1H3,(H,10,11)
InChIKeyLUBHJSSSUVHGLR-UHFFFAOYSA-N
MW221.28 g/mol
LogP0.28
Rot. Bonds4

About 2-[cyclopentyl(methylsulfonyl)amino]acetic acid

2-[cyclopentyl(methylsulfonyl)amino]acetic acid (PubChem CID 60828947) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-[cyclopentyl(methylsulfonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl(methylsulfonyl)amino]acetic acid
PubChem CID60828947
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Name2-[cyclopentyl(methylsulfonyl)amino]acetic acid
SMILESCS(=O)(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C8H15NO4S/c1-14(12,13)9(6-8(10)11)7-4-2-3-5-7/h7H,2-6H2,1H3,(H,10,11)
InChIKeyLUBHJSSSUVHGLR-UHFFFAOYSA-N
XLogP0.28
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(methylsulfonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl(methylsulfonyl)amino]acetic acid (CID 60828947) is 2-[cyclopentyl(methylsulfonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl(methylsulfonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl(methylsulfonyl)amino]acetic acid is CS(=O)(=O)N(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(methylsulfonyl)amino]acetic acid?
The InChIKey is LUBHJSSSUVHGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S/c1-14(12,13)9(6-8(10)11)7-4-2-3-5-7/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 2-[cyclopentyl(methylsulfonyl)amino]acetic acid?
2-[cyclopentyl(methylsulfonyl)amino]acetic acid has a molecular weight of 221.28 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(methylsulfonyl)amino]acetic acid is sourced from PubChem (CID 60828947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).