2-[tert-butyl(3-methylbutylsulfonyl)amino]acetic acid

C11H23NO4S — CID 79269437

IUPAC2-[tert-butyl(3-methylbutylsulfonyl)amino]acetic acid
SMILESCC(C)CCS(=O)(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C11H23NO4S/c1-9(2)6-7-17(15,16)12(8-10(13)14)11(3,4)5/h9H,6-8H2,1-5H3,(H,13,14)
InChIKeyBVEUCVKHZHEJFH-UHFFFAOYSA-N
MW265.37 g/mol
LogP1.55
Rot. Bonds6

About 2-[tert-butyl(3-methylbutylsulfonyl)amino]acetic acid

2-[tert-butyl(3-methylbutylsulfonyl)amino]acetic acid (PubChem CID 79269437) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is 2-[tert-butyl(3-methylbutylsulfonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl(3-methylbutylsulfonyl)amino]acetic acid
PubChem CID79269437
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Name2-[tert-butyl(3-methylbutylsulfonyl)amino]acetic acid
SMILESCC(C)CCS(=O)(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C11H23NO4S/c1-9(2)6-7-17(15,16)12(8-10(13)14)11(3,4)5/h9H,6-8H2,1-5H3,(H,13,14)
InChIKeyBVEUCVKHZHEJFH-UHFFFAOYSA-N
XLogP1.55
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(3-methylbutylsulfonyl)amino]acetic acid?
The IUPAC name of 2-[tert-butyl(3-methylbutylsulfonyl)amino]acetic acid (CID 79269437) is 2-[tert-butyl(3-methylbutylsulfonyl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl(3-methylbutylsulfonyl)amino]acetic acid?
The canonical SMILES for 2-[tert-butyl(3-methylbutylsulfonyl)amino]acetic acid is CC(C)CCS(=O)(=O)N(CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(3-methylbutylsulfonyl)amino]acetic acid?
The InChIKey is BVEUCVKHZHEJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-9(2)6-7-17(15,16)12(8-10(13)14)11(3,4)5/h9H,6-8H2,1-5H3,(H,13,14).
What are the key properties of 2-[tert-butyl(3-methylbutylsulfonyl)amino]acetic acid?
2-[tert-butyl(3-methylbutylsulfonyl)amino]acetic acid has a molecular weight of 265.37 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(3-methylbutylsulfonyl)amino]acetic acid is sourced from PubChem (CID 79269437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).