(2R)-1-(3-phenylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid

C14H17NO3S — CID 78922340

IUPAC(2R)-1-(3-phenylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)CCSc1ccccc1
InChIInChI=1S/C14H17NO3S/c16-13(15-9-4-7-12(15)14(17)18)8-10-19-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,17,18)/t12-/m1/s1
InChIKeyRTGMZTMFMHWPGJ-GFCCVEGCSA-N
MW279.36 g/mol
LogP2.24
Rot. Bonds5

About (2R)-1-(3-phenylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid

(2R)-1-(3-phenylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 78922340) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is (2R)-1-(3-phenylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(3-phenylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid
PubChem CID78922340
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name(2R)-1-(3-phenylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)CCSc1ccccc1
InChIInChI=1S/C14H17NO3S/c16-13(15-9-4-7-12(15)14(17)18)8-10-19-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,17,18)/t12-/m1/s1
InChIKeyRTGMZTMFMHWPGJ-GFCCVEGCSA-N
XLogP2.24
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-(3-phenylsulfanylpropanoyl)pyrrolidine-2-carboxylic 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

(2R)-1-[3-(4-methoxyphenyl)sulfanylpropanoyl]pyrrolidine-2-carboxylic acid
CID 119371042
(2R,3R)-2-methyl-1-(3-phenylsulfanylpropanoyl)piperidine-3-carboxylic acid
CID 122114673
1-[3-(4-methoxyphenyl)sulfanylpropanoyl]piperidine-2-carboxylic acid
CID 119175892
2-[1-(3-phenylsulfanylpropanoyl)pyrrolidin-2-yl]acetic acid
CID 61371271
(2S)-1-[3-(2-phenylethyldisulfanyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 54508077
(2R)-1-[3-(2-chlorophenyl)sulfanylpropanoyl]piperidine-2-carboxylic acid
CID 79035190
1-(3-phenylmethoxypropanoyl)pyrrolidine-2-carboxylic acid
CID 122133029
(2S,4S)-4-hydroxy-1-(3-phenylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid
CID 64714756
(4R)-3-(3-phenylsulfanylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143162
(2S)-1-(4-benzoylsulfanylbutanoyl)pyrrolidine-2-carboxylic acid
CID 86735054
1-(3,3-diphenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 22665663
1-[2-(4-methoxyphenyl)sulfanylacetyl]pyrrolidine-2-carboxylic acid
CID 43092846

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-phenylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(3-phenylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid (CID 78922340) is (2R)-1-(3-phenylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(3-phenylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(3-phenylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)CCSc1ccccc1.
What is the InChIKey of (2R)-1-(3-phenylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is RTGMZTMFMHWPGJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17NO3S/c16-13(15-9-4-7-12(15)14(17)18)8-10-19-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,17,18)/t12-/m1/s1.
What are the key properties of (2R)-1-(3-phenylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(3-phenylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 279.36 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-phenylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78922340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).