2-[cyclopentyl(ethylsulfonyl)amino]acetic acid

C9H17NO4S — CID 60829268

IUPAC2-[cyclopentyl(ethylsulfonyl)amino]acetic acid
SMILESCCS(=O)(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C9H17NO4S/c1-2-15(13,14)10(7-9(11)12)8-5-3-4-6-8/h8H,2-7H2,1H3,(H,11,12)
InChIKeyKEKHWIFQMVZJMV-UHFFFAOYSA-N
MW235.30 g/mol
LogP0.67
Rot. Bonds5

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

2-[cyclopentyl(ethylsulfonyl)amino]acetic acid (PubChem CID 60829268) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-[cyclopentyl(ethylsulfonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl(ethylsulfonyl)amino]acetic acid
PubChem CID60829268
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name2-[cyclopentyl(ethylsulfonyl)amino]acetic acid
SMILESCCS(=O)(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C9H17NO4S/c1-2-15(13,14)10(7-9(11)12)8-5-3-4-6-8/h8H,2-7H2,1H3,(H,11,12)
InChIKeyKEKHWIFQMVZJMV-UHFFFAOYSA-N
XLogP0.67
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(ethylsulfonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl(ethylsulfonyl)amino]acetic acid (CID 60829268) is 2-[cyclopentyl(ethylsulfonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl(ethylsulfonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl(ethylsulfonyl)amino]acetic acid is CCS(=O)(=O)N(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(ethylsulfonyl)amino]acetic acid?
The InChIKey is KEKHWIFQMVZJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-2-15(13,14)10(7-9(11)12)8-5-3-4-6-8/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of 2-[cyclopentyl(ethylsulfonyl)amino]acetic acid?
2-[cyclopentyl(ethylsulfonyl)amino]acetic acid has a molecular weight of 235.30 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(ethylsulfonyl)amino]acetic acid is sourced from PubChem (CID 60829268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).