4-[tert-butylsulfonyl(propan-2-yl)amino]butanoic acid

C11H23NO4S — CID 63688968

IUPAC4-[tert-butylsulfonyl(propan-2-yl)amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H23NO4S/c1-9(2)12(8-6-7-10(13)14)17(15,16)11(3,4)5/h9H,6-8H2,1-5H3,(H,13,14)
InChIKeyQTNZRWZKCMYALD-UHFFFAOYSA-N
MW265.37 g/mol
LogP1.69
Rot. Bonds6

About 4-[tert-butylsulfonyl(propan-2-yl)amino]butanoic acid

4-[tert-butylsulfonyl(propan-2-yl)amino]butanoic acid (PubChem CID 63688968) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is 4-[tert-butylsulfonyl(propan-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[tert-butylsulfonyl(propan-2-yl)amino]butanoic acid
PubChem CID63688968
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Name4-[tert-butylsulfonyl(propan-2-yl)amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H23NO4S/c1-9(2)12(8-6-7-10(13)14)17(15,16)11(3,4)5/h9H,6-8H2,1-5H3,(H,13,14)
InChIKeyQTNZRWZKCMYALD-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[tert-butylsulfonyl(propan-2-yl)amino]butanoic acid?
The IUPAC name of 4-[tert-butylsulfonyl(propan-2-yl)amino]butanoic acid (CID 63688968) is 4-[tert-butylsulfonyl(propan-2-yl)amino]butanoic acid.
What is the SMILES notation for 4-[tert-butylsulfonyl(propan-2-yl)amino]butanoic acid?
The canonical SMILES for 4-[tert-butylsulfonyl(propan-2-yl)amino]butanoic acid is CC(C)N(CCCC(=O)O)S(=O)(=O)C(C)(C)C.
What is the InChIKey of 4-[tert-butylsulfonyl(propan-2-yl)amino]butanoic acid?
The InChIKey is QTNZRWZKCMYALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-9(2)12(8-6-7-10(13)14)17(15,16)11(3,4)5/h9H,6-8H2,1-5H3,(H,13,14).
What are the key properties of 4-[tert-butylsulfonyl(propan-2-yl)amino]butanoic acid?
4-[tert-butylsulfonyl(propan-2-yl)amino]butanoic acid has a molecular weight of 265.37 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butylsulfonyl(propan-2-yl)amino]butanoic acid is sourced from PubChem (CID 63688968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).