3-(propan-2-ylsulfonylamino)propanoic acid

C6H13NO4S — CID 60858633

IUPAC3-(propan-2-ylsulfonylamino)propanoic acid
SMILESCC(C)S(=O)(=O)NCCC(=O)O
InChIInChI=1S/C6H13NO4S/c1-5(2)12(10,11)7-4-3-6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9)
InChIKeyDPWYWRUWYBKZLQ-UHFFFAOYSA-N
MW195.24 g/mol
LogP-0.21
Rot. Bonds5

About 3-(propan-2-ylsulfonylamino)propanoic acid

3-(propan-2-ylsulfonylamino)propanoic acid (PubChem CID 60858633) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is 3-(propan-2-ylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name3-(propan-2-ylsulfonylamino)propanoic acid
PubChem CID60858633
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC Name3-(propan-2-ylsulfonylamino)propanoic acid
SMILESCC(C)S(=O)(=O)NCCC(=O)O
InChIInChI=1S/C6H13NO4S/c1-5(2)12(10,11)7-4-3-6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9)
InChIKeyDPWYWRUWYBKZLQ-UHFFFAOYSA-N
XLogP-0.21
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylsulfonylamino)propanoic acid?
The IUPAC name of 3-(propan-2-ylsulfonylamino)propanoic acid (CID 60858633) is 3-(propan-2-ylsulfonylamino)propanoic acid.
What is the SMILES notation for 3-(propan-2-ylsulfonylamino)propanoic acid?
The canonical SMILES for 3-(propan-2-ylsulfonylamino)propanoic acid is CC(C)S(=O)(=O)NCCC(=O)O.
What is the InChIKey of 3-(propan-2-ylsulfonylamino)propanoic acid?
The InChIKey is DPWYWRUWYBKZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-5(2)12(10,11)7-4-3-6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 3-(propan-2-ylsulfonylamino)propanoic acid?
3-(propan-2-ylsulfonylamino)propanoic acid has a molecular weight of 195.24 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylsulfonylamino)propanoic acid is sourced from PubChem (CID 60858633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).