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

C10H21NO4S — CID 60829099

IUPAC4-[propan-2-yl(propylsulfonyl)amino]butanoic acid
SMILESCCCS(=O)(=O)N(CCCC(=O)O)C(C)C
InChIInChI=1S/C10H21NO4S/c1-4-8-16(14,15)11(9(2)3)7-5-6-10(12)13/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyICHRWODNHYJOJM-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.30
Rot. Bonds8

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

4-[propan-2-yl(propylsulfonyl)amino]butanoic acid (PubChem CID 60829099) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is 4-[propan-2-yl(propylsulfonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[propan-2-yl(propylsulfonyl)amino]butanoic acid
PubChem CID60829099
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name4-[propan-2-yl(propylsulfonyl)amino]butanoic acid
SMILESCCCS(=O)(=O)N(CCCC(=O)O)C(C)C
InChIInChI=1S/C10H21NO4S/c1-4-8-16(14,15)11(9(2)3)7-5-6-10(12)13/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyICHRWODNHYJOJM-UHFFFAOYSA-N
XLogP1.30
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[propan-2-yl(propylsulfonyl)amino]butanoic acid?
The IUPAC name of 4-[propan-2-yl(propylsulfonyl)amino]butanoic acid (CID 60829099) is 4-[propan-2-yl(propylsulfonyl)amino]butanoic acid.
What is the SMILES notation for 4-[propan-2-yl(propylsulfonyl)amino]butanoic acid?
The canonical SMILES for 4-[propan-2-yl(propylsulfonyl)amino]butanoic acid is CCCS(=O)(=O)N(CCCC(=O)O)C(C)C.
What is the InChIKey of 4-[propan-2-yl(propylsulfonyl)amino]butanoic acid?
The InChIKey is ICHRWODNHYJOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-4-8-16(14,15)11(9(2)3)7-5-6-10(12)13/h9H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 4-[propan-2-yl(propylsulfonyl)amino]butanoic acid?
4-[propan-2-yl(propylsulfonyl)amino]butanoic acid has a molecular weight of 251.35 g/mol, XLogP of 1.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propan-2-yl(propylsulfonyl)amino]butanoic acid is sourced from PubChem (CID 60829099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).