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

C11H21NO4S — CID 55231619

IUPAC2-[tert-butylsulfonyl(cyclopentyl)amino]acetic acid
SMILESCC(C)(C)S(=O)(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C11H21NO4S/c1-11(2,3)17(15,16)12(8-10(13)14)9-6-4-5-7-9/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyUDEBQFBXSQFHCW-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.44
Rot. Bonds4

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

2-[tert-butylsulfonyl(cyclopentyl)amino]acetic acid (PubChem CID 55231619) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-[tert-butylsulfonyl(cyclopentyl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butylsulfonyl(cyclopentyl)amino]acetic acid
PubChem CID55231619
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name2-[tert-butylsulfonyl(cyclopentyl)amino]acetic acid
SMILESCC(C)(C)S(=O)(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C11H21NO4S/c1-11(2,3)17(15,16)12(8-10(13)14)9-6-4-5-7-9/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyUDEBQFBXSQFHCW-UHFFFAOYSA-N
XLogP1.44
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butylsulfonyl(cyclopentyl)amino]acetic acid?
The IUPAC name of 2-[tert-butylsulfonyl(cyclopentyl)amino]acetic acid (CID 55231619) is 2-[tert-butylsulfonyl(cyclopentyl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butylsulfonyl(cyclopentyl)amino]acetic acid?
The canonical SMILES for 2-[tert-butylsulfonyl(cyclopentyl)amino]acetic acid is CC(C)(C)S(=O)(=O)N(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-[tert-butylsulfonyl(cyclopentyl)amino]acetic acid?
The InChIKey is UDEBQFBXSQFHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-11(2,3)17(15,16)12(8-10(13)14)9-6-4-5-7-9/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-[tert-butylsulfonyl(cyclopentyl)amino]acetic acid?
2-[tert-butylsulfonyl(cyclopentyl)amino]acetic acid has a molecular weight of 263.36 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butylsulfonyl(cyclopentyl)amino]acetic acid is sourced from PubChem (CID 55231619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).