2-[2-(propylsulfonylamino)propanoylamino]acetic acid

C8H16N2O5S — CID 43354548

IUPAC2-[2-(propylsulfonylamino)propanoylamino]acetic acid
SMILESCCCS(=O)(=O)NC(C)C(=O)NCC(=O)O
InChIInChI=1S/C8H16N2O5S/c1-3-4-16(14,15)10-6(2)8(13)9-5-7(11)12/h6,10H,3-5H2,1-2H3,(H,9,13)(H,11,12)
InChIKeyOEQDLHSXOSAVBE-UHFFFAOYSA-N
MW252.29 g/mol
LogP-1.09
Rot. Bonds7

About 2-[2-(propylsulfonylamino)propanoylamino]acetic acid

2-[2-(propylsulfonylamino)propanoylamino]acetic acid (PubChem CID 43354548) has the molecular formula C8H16N2O5S and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-[2-(propylsulfonylamino)propanoylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(propylsulfonylamino)propanoylamino]acetic acid
PubChem CID43354548
Molecular FormulaC8H16N2O5S
Molecular Weight252.29 g/mol
Exact Mass252.08
IUPAC Name2-[2-(propylsulfonylamino)propanoylamino]acetic acid
SMILESCCCS(=O)(=O)NC(C)C(=O)NCC(=O)O
InChIInChI=1S/C8H16N2O5S/c1-3-4-16(14,15)10-6(2)8(13)9-5-7(11)12/h6,10H,3-5H2,1-2H3,(H,9,13)(H,11,12)
InChIKeyOEQDLHSXOSAVBE-UHFFFAOYSA-N
XLogP-1.09
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[2-(propylsulfonylamino)propanoylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

((2-Amino-3-((2-amino-3-((carboxymethyl)amino)-3-oxopropyl)dithio)propanoyl)amino)acetic acid
CID 333293
(2R,2'R)-3,3'-disulfanediylbis(2-((S)-2-aminopropanamido)propanoic acid)
CID 87403765
Glycine, N-acetyl-L-cysteinyl-
CID 5326969
Ala-Cys-Gly
CID 71464690
2-[[2-(2-Aminopropanoylamino)-3-sulfanylpropanoyl]amino]acetic acid
CID 18218330
2-Acetamido-3-sulfopropanoic acid
CID 23453153
Cysteylcystein
CID 54133462
N-Acetyl-L-cysteinylglycyl-L-cysteinylglycine
CID 71348031
N-Acetyl-3-sulfo-L-alanine
CID 71402832
Cysteyl-glycine
CID 87524075
N-(2-Amino-3-((2-amino-3-((1-carboxyethyl)amino)-3-oxopropyl)dithio)propanoyl)alanine
CID 333292
Ala-Cys-Cys
CID 11990553

Frequently Asked Questions

What is the IUPAC name of 2-[2-(propylsulfonylamino)propanoylamino]acetic acid?
The IUPAC name of 2-[2-(propylsulfonylamino)propanoylamino]acetic acid (CID 43354548) is 2-[2-(propylsulfonylamino)propanoylamino]acetic acid.
What is the SMILES notation for 2-[2-(propylsulfonylamino)propanoylamino]acetic acid?
The canonical SMILES for 2-[2-(propylsulfonylamino)propanoylamino]acetic acid is CCCS(=O)(=O)NC(C)C(=O)NCC(=O)O.
What is the InChIKey of 2-[2-(propylsulfonylamino)propanoylamino]acetic acid?
The InChIKey is OEQDLHSXOSAVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O5S/c1-3-4-16(14,15)10-6(2)8(13)9-5-7(11)12/h6,10H,3-5H2,1-2H3,(H,9,13)(H,11,12).
What are the key properties of 2-[2-(propylsulfonylamino)propanoylamino]acetic acid?
2-[2-(propylsulfonylamino)propanoylamino]acetic acid has a molecular weight of 252.29 g/mol, XLogP of -1.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(propylsulfonylamino)propanoylamino]acetic acid is sourced from PubChem (CID 43354548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).