3-(3-pyrrolidin-1-ylpropylsulfinyl)propanoic acid

C10H19NO3S — CID 61494245

IUPAC3-(3-pyrrolidin-1-ylpropylsulfinyl)propanoic acid
SMILESO=C(O)CCS(=O)CCCN1CCCC1
InChIInChI=1S/C10H19NO3S/c12-10(13)4-9-15(14)8-3-7-11-5-1-2-6-11/h1-9H2,(H,12,13)
InChIKeyVDZHNWHNVBMLLM-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.70
Rot. Bonds7

About 3-(3-pyrrolidin-1-ylpropylsulfinyl)propanoic acid

3-(3-pyrrolidin-1-ylpropylsulfinyl)propanoic acid (PubChem CID 61494245) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 3-(3-pyrrolidin-1-ylpropylsulfinyl)propanoic acid.

Molecular Properties

Compound Name3-(3-pyrrolidin-1-ylpropylsulfinyl)propanoic acid
PubChem CID61494245
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name3-(3-pyrrolidin-1-ylpropylsulfinyl)propanoic acid
SMILESO=C(O)CCS(=O)CCCN1CCCC1
InChIInChI=1S/C10H19NO3S/c12-10(13)4-9-15(14)8-3-7-11-5-1-2-6-11/h1-9H2,(H,12,13)
InChIKeyVDZHNWHNVBMLLM-UHFFFAOYSA-N
XLogP0.70
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-pyrrolidin-1-ylpropylsulfinyl)propanoic 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

3-(2-morpholin-4-ylethylsulfinyl)propanoic acid
CID 60982979
3-(4-pyrrolidin-1-ylbutylamino)propanoic acid
CID 82316559
hydrazine;3-piperidin-1-ylpropanoic acid
CID 161275938
6-(aziridin-1-yl)hexanoic acid
CID 141385441
4-[4-(2-carboxyethyl)piperazin-1-yl]butanoic acid
CID 82323105
1-(3-methylsulfinylpropyl)pyrrolidine
CID 154648174
3-[3-(azetidin-1-yl)propoxy]propanoic acid
CID 166535347
5-oxo-5-(3-piperidin-1-ylpropylamino)pentanoic acid
CID 43579827
11-pyrrolidin-1-ylundecanamide
CID 175975624
3-(4-hexyl-1,4-diazepan-1-yl)propanoic acid
CID 82323042
5-(1,4-diazepan-1-yl)pentanoic acid
CID 61397954
4-(2-pyrrolidin-1-ylethylsulfonyl)butanoic acid
CID 82182602

Frequently Asked Questions

What is the IUPAC name of 3-(3-pyrrolidin-1-ylpropylsulfinyl)propanoic acid?
The IUPAC name of 3-(3-pyrrolidin-1-ylpropylsulfinyl)propanoic acid (CID 61494245) is 3-(3-pyrrolidin-1-ylpropylsulfinyl)propanoic acid.
What is the SMILES notation for 3-(3-pyrrolidin-1-ylpropylsulfinyl)propanoic acid?
The canonical SMILES for 3-(3-pyrrolidin-1-ylpropylsulfinyl)propanoic acid is O=C(O)CCS(=O)CCCN1CCCC1.
What is the InChIKey of 3-(3-pyrrolidin-1-ylpropylsulfinyl)propanoic acid?
The InChIKey is VDZHNWHNVBMLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c12-10(13)4-9-15(14)8-3-7-11-5-1-2-6-11/h1-9H2,(H,12,13).
What are the key properties of 3-(3-pyrrolidin-1-ylpropylsulfinyl)propanoic acid?
3-(3-pyrrolidin-1-ylpropylsulfinyl)propanoic acid has a molecular weight of 233.33 g/mol, XLogP of 0.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyrrolidin-1-ylpropylsulfinyl)propanoic acid is sourced from PubChem (CID 61494245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).