3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylbutanoic acid

C10H22N2O4S — CID 79397099

IUPAC3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylbutanoic acid
SMILESCC(NCC(C)(C)NS(C)(=O)=O)C(C)C(=O)O
InChIInChI=1S/C10H22N2O4S/c1-7(9(13)14)8(2)11-6-10(3,4)12-17(5,15)16/h7-8,11-12H,6H2,1-5H3,(H,13,14)
InChIKeyLNWIZIWGQYJZSC-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.01
Rot. Bonds7

About 3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylbutanoic acid

3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylbutanoic acid (PubChem CID 79397099) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is 3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylbutanoic acid
PubChem CID79397099
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylbutanoic acid
SMILESCC(NCC(C)(C)NS(C)(=O)=O)C(C)C(=O)O
InChIInChI=1S/C10H22N2O4S/c1-7(9(13)14)8(2)11-6-10(3,4)12-17(5,15)16/h7-8,11-12H,6H2,1-5H3,(H,13,14)
InChIKeyLNWIZIWGQYJZSC-UHFFFAOYSA-N
XLogP0.01
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylbutanoic acid?
The IUPAC name of 3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylbutanoic acid (CID 79397099) is 3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylbutanoic acid is CC(NCC(C)(C)NS(C)(=O)=O)C(C)C(=O)O.
What is the InChIKey of 3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylbutanoic acid?
The InChIKey is LNWIZIWGQYJZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-7(9(13)14)8(2)11-6-10(3,4)12-17(5,15)16/h7-8,11-12H,6H2,1-5H3,(H,13,14).
What are the key properties of 3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylbutanoic acid?
3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylbutanoic acid has a molecular weight of 266.36 g/mol, XLogP of 0.01, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 79397099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).