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

C13H16N2O5S — CID 43357042

IUPAC4-hydroxy-1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(NCCC(=O)N1CC(O)CC1C(=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)
InChIKeyZREOPCVHAGRBKD-UHFFFAOYSA-N
MW312.35 g/mol
LogP-0.09
Rot. Bonds5

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

4-hydroxy-1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 43357042) has the molecular formula C13H16N2O5S and a molecular weight of 312.35 g/mol. Its IUPAC name is 4-hydroxy-1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID43357042
Molecular FormulaC13H16N2O5S
Molecular Weight312.35 g/mol
Exact Mass312.08
IUPAC Name4-hydroxy-1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(NCCC(=O)N1CC(O)CC1C(=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)
InChIKeyZREOPCVHAGRBKD-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid (CID 43357042) is 4-hydroxy-1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid is O=C(NCCC(=O)N1CC(O)CC1C(=O)O)c1ccsc1.
What is the InChIKey of 4-hydroxy-1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is ZREOPCVHAGRBKD-UHFFFAOYSA-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).
What are the key properties of 4-hydroxy-1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid?
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 4-hydroxy-1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43357042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).