2-[butylsulfonyl(cyclopentyl)amino]acetic acid

C11H21NO4S — CID 60829267

IUPAC2-[butylsulfonyl(cyclopentyl)amino]acetic acid
SMILESCCCCS(=O)(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C11H21NO4S/c1-2-3-8-17(15,16)12(9-11(13)14)10-6-4-5-7-10/h10H,2-9H2,1H3,(H,13,14)
InChIKeyRSBJVURAEOGLJW-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.45
Rot. Bonds7

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

2-[butylsulfonyl(cyclopentyl)amino]acetic acid (PubChem CID 60829267) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-[butylsulfonyl(cyclopentyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butylsulfonyl(cyclopentyl)amino]acetic acid
PubChem CID60829267
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name2-[butylsulfonyl(cyclopentyl)amino]acetic acid
SMILESCCCCS(=O)(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C11H21NO4S/c1-2-3-8-17(15,16)12(9-11(13)14)10-6-4-5-7-10/h10H,2-9H2,1H3,(H,13,14)
InChIKeyRSBJVURAEOGLJW-UHFFFAOYSA-N
XLogP1.45
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[butylsulfonyl(cyclopentyl)amino]acetic acid?
The IUPAC name of 2-[butylsulfonyl(cyclopentyl)amino]acetic acid (CID 60829267) is 2-[butylsulfonyl(cyclopentyl)amino]acetic acid.
What is the SMILES notation for 2-[butylsulfonyl(cyclopentyl)amino]acetic acid?
The canonical SMILES for 2-[butylsulfonyl(cyclopentyl)amino]acetic acid is CCCCS(=O)(=O)N(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-[butylsulfonyl(cyclopentyl)amino]acetic acid?
The InChIKey is RSBJVURAEOGLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-2-3-8-17(15,16)12(9-11(13)14)10-6-4-5-7-10/h10H,2-9H2,1H3,(H,13,14).
What are the key properties of 2-[butylsulfonyl(cyclopentyl)amino]acetic acid?
2-[butylsulfonyl(cyclopentyl)amino]acetic acid has a molecular weight of 263.36 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butylsulfonyl(cyclopentyl)amino]acetic acid is sourced from PubChem (CID 60829267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).