(2S,4S)-4-hydroxy-1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid

C13H16N2O5S — CID 64712990

IUPAC(2S,4S)-4-hydroxy-1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(NCCC(=O)N1C[C@@H](O)C[C@H]1C(=O)O)c1ccsc1
InChIInChI=1S/C13H16N2O5S/c16-9-5-10(13(19)20)15(6-9)11(17)1-3-14-12(18)8-2-4-21-7-8/h2,4,7,9-10,16H,1,3,5-6H2,(H,14,18)(H,19,20)/t9-,10-/m0/s1
InChIKeyZREOPCVHAGRBKD-UWVGGRQHSA-N
MW312.35 g/mol
LogP-0.09
Rot. Bonds5

About (2S,4S)-4-hydroxy-1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid

(2S,4S)-4-hydroxy-1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 64712990) has the molecular formula C13H16N2O5S and a molecular weight of 312.35 g/mol. Its IUPAC name is (2S,4S)-4-hydroxy-1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-hydroxy-1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID64712990
Molecular FormulaC13H16N2O5S
Molecular Weight312.35 g/mol
Exact Mass312.08
IUPAC Name(2S,4S)-4-hydroxy-1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(NCCC(=O)N1C[C@@H](O)C[C@H]1C(=O)O)c1ccsc1
InChIInChI=1S/C13H16N2O5S/c16-9-5-10(13(19)20)15(6-9)11(17)1-3-14-12(18)8-2-4-21-7-8/h2,4,7,9-10,16H,1,3,5-6H2,(H,14,18)(H,19,20)/t9-,10-/m0/s1
InChIKeyZREOPCVHAGRBKD-UWVGGRQHSA-N
XLogP-0.09
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S,4S)-4-hydroxy-1-[3-(thiophene-3-carbonylamino)propanoyl]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

1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 43355708
(2R)-1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-2-carboxylic acid
CID 79035340
(2S,4R)-4-hydroxy-1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carboxylic acid
CID 28778404
N-[3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 102738090
(2R,4R)-4-hydroxy-1-(2-thiophen-3-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 78999448
N-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 79028955
N-[3-[2-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 43421341
N-(3-oxo-3-piperazin-1-ylpropyl)thiophene-3-carboxamide
CID 119402669
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-[3-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 62370593
N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride
CID 119468600
N-[4-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-4-oxobutyl]thiophene-3-carboxamide
CID 119037829

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-hydroxy-1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-hydroxy-1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid (CID 64712990) is (2S,4S)-4-hydroxy-1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-hydroxy-1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-hydroxy-1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid is O=C(NCCC(=O)N1C[C@@H](O)C[C@H]1C(=O)O)c1ccsc1.
What is the InChIKey of (2S,4S)-4-hydroxy-1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is ZREOPCVHAGRBKD-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H16N2O5S/c16-9-5-10(13(19)20)15(6-9)11(17)1-3-14-12(18)8-2-4-21-7-8/h2,4,7,9-10,16H,1,3,5-6H2,(H,14,18)(H,19,20)/t9-,10-/m0/s1.
What are the key properties of (2S,4S)-4-hydroxy-1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid?
(2S,4S)-4-hydroxy-1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 312.35 g/mol, XLogP of -0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-hydroxy-1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 64712990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).