5-[(2-propylsulfonylacetyl)amino]pentanoic acid

C10H19NO5S — CID 119234428

IUPAC5-[(2-propylsulfonylacetyl)amino]pentanoic acid
SMILESCCCS(=O)(=O)CC(=O)NCCCCC(=O)O
InChIInChI=1S/C10H19NO5S/c1-2-7-17(15,16)8-9(12)11-6-4-3-5-10(13)14/h2-8H2,1H3,(H,11,12)(H,13,14)
InChIKeyOMULAXNIBLNVDW-UHFFFAOYSA-N
MW265.33 g/mol
LogP0.18
Rot. Bonds9

About 5-[(2-propylsulfonylacetyl)amino]pentanoic acid

5-[(2-propylsulfonylacetyl)amino]pentanoic acid (PubChem CID 119234428) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is 5-[(2-propylsulfonylacetyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(2-propylsulfonylacetyl)amino]pentanoic acid
PubChem CID119234428
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name5-[(2-propylsulfonylacetyl)amino]pentanoic acid
SMILESCCCS(=O)(=O)CC(=O)NCCCCC(=O)O
InChIInChI=1S/C10H19NO5S/c1-2-7-17(15,16)8-9(12)11-6-4-3-5-10(13)14/h2-8H2,1H3,(H,11,12)(H,13,14)
InChIKeyOMULAXNIBLNVDW-UHFFFAOYSA-N
XLogP0.18
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[(2-propylsulfonylacetyl)amino]pentanoic 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

N-propyl-2-propylsulfonylacetamide
CID 86989509
16-(butanoylamino)hexadecanoic acid
CID 118711043
4-[2-(2-methoxyethylamino)-2-oxoethyl]sulfonylbutanoic acid
CID 82182564
N-butyl-2-(2-hydroxyethylsulfonyl)acetamide
CID 82181707
6-(hexylamino)-6-oxohexanoic acid
CID 22448385
11-(dodecanoylamino)undecanoic acid
CID 4163254
2-(2-aminoethylsulfonyl)-N-butylacetamide
CID 79015229
6-(butylamino)-6-oxohexanoic acid
CID 43529485
ethane;10-(propanoylamino)decanoic acid;11-(propanoylamino)undecanoic acid
CID 156732103
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
N-(3-propylsulfonylpropyl)propanamide
CID 146416714

Frequently Asked Questions

What is the IUPAC name of 5-[(2-propylsulfonylacetyl)amino]pentanoic acid?
The IUPAC name of 5-[(2-propylsulfonylacetyl)amino]pentanoic acid (CID 119234428) is 5-[(2-propylsulfonylacetyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(2-propylsulfonylacetyl)amino]pentanoic acid?
The canonical SMILES for 5-[(2-propylsulfonylacetyl)amino]pentanoic acid is CCCS(=O)(=O)CC(=O)NCCCCC(=O)O.
What is the InChIKey of 5-[(2-propylsulfonylacetyl)amino]pentanoic acid?
The InChIKey is OMULAXNIBLNVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-2-7-17(15,16)8-9(12)11-6-4-3-5-10(13)14/h2-8H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 5-[(2-propylsulfonylacetyl)amino]pentanoic acid?
5-[(2-propylsulfonylacetyl)amino]pentanoic acid has a molecular weight of 265.33 g/mol, XLogP of 0.18, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-propylsulfonylacetyl)amino]pentanoic acid is sourced from PubChem (CID 119234428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).