4-[tert-butylsulfonyl(methyl)amino]butanoic acid

C9H19NO4S — CID 63687844

IUPAC4-[tert-butylsulfonyl(methyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C9H19NO4S/c1-9(2,3)15(13,14)10(4)7-5-6-8(11)12/h5-7H2,1-4H3,(H,11,12)
InChIKeyMICZCVCROJKESX-UHFFFAOYSA-N
MW237.32 g/mol
LogP0.91
Rot. Bonds5

About 4-[tert-butylsulfonyl(methyl)amino]butanoic acid

4-[tert-butylsulfonyl(methyl)amino]butanoic acid (PubChem CID 63687844) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-[tert-butylsulfonyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[tert-butylsulfonyl(methyl)amino]butanoic acid
PubChem CID63687844
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name4-[tert-butylsulfonyl(methyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C9H19NO4S/c1-9(2,3)15(13,14)10(4)7-5-6-8(11)12/h5-7H2,1-4H3,(H,11,12)
InChIKeyMICZCVCROJKESX-UHFFFAOYSA-N
XLogP0.91
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[tert-butylsulfonyl(methyl)amino]butanoic acid?
The IUPAC name of 4-[tert-butylsulfonyl(methyl)amino]butanoic acid (CID 63687844) is 4-[tert-butylsulfonyl(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[tert-butylsulfonyl(methyl)amino]butanoic acid?
The canonical SMILES for 4-[tert-butylsulfonyl(methyl)amino]butanoic acid is CN(CCCC(=O)O)S(=O)(=O)C(C)(C)C.
What is the InChIKey of 4-[tert-butylsulfonyl(methyl)amino]butanoic acid?
The InChIKey is MICZCVCROJKESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-9(2,3)15(13,14)10(4)7-5-6-8(11)12/h5-7H2,1-4H3,(H,11,12).
What are the key properties of 4-[tert-butylsulfonyl(methyl)amino]butanoic acid?
4-[tert-butylsulfonyl(methyl)amino]butanoic acid has a molecular weight of 237.32 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butylsulfonyl(methyl)amino]butanoic acid is sourced from PubChem (CID 63687844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).