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

C10H21NO4S — CID 63689160

IUPAC2-[tert-butylsulfonyl(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H21NO4S/c1-8(2)6-11(7-9(12)13)16(14,15)10(3,4)5/h8H,6-7H2,1-5H3,(H,12,13)
InChIKeyLFALXHYVYGGVRA-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.16
Rot. Bonds5

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

2-[tert-butylsulfonyl(2-methylpropyl)amino]acetic acid (PubChem CID 63689160) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-[tert-butylsulfonyl(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butylsulfonyl(2-methylpropyl)amino]acetic acid
PubChem CID63689160
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name2-[tert-butylsulfonyl(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H21NO4S/c1-8(2)6-11(7-9(12)13)16(14,15)10(3,4)5/h8H,6-7H2,1-5H3,(H,12,13)
InChIKeyLFALXHYVYGGVRA-UHFFFAOYSA-N
XLogP1.16
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butylsulfonyl(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[tert-butylsulfonyl(2-methylpropyl)amino]acetic acid (CID 63689160) is 2-[tert-butylsulfonyl(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butylsulfonyl(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[tert-butylsulfonyl(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)S(=O)(=O)C(C)(C)C.
What is the InChIKey of 2-[tert-butylsulfonyl(2-methylpropyl)amino]acetic acid?
The InChIKey is LFALXHYVYGGVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-8(2)6-11(7-9(12)13)16(14,15)10(3,4)5/h8H,6-7H2,1-5H3,(H,12,13).
What are the key properties of 2-[tert-butylsulfonyl(2-methylpropyl)amino]acetic acid?
2-[tert-butylsulfonyl(2-methylpropyl)amino]acetic acid has a molecular weight of 251.35 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butylsulfonyl(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63689160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).