5-oxo-4-(2,3,4-trihydroxyoxolan-2-yl)pyrrolidine-2-carboxylic acid

C9H13NO7 — CID 162928959

IUPAC5-oxo-4-(2,3,4-trihydroxyoxolan-2-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(C2(O)OCC(O)C2O)C(=O)N1
InChIInChI=1S/C9H13NO7/c11-5-2-17-9(16,6(5)12)3-1-4(8(14)15)10-7(3)13/h3-6,11-12,16H,1-2H2,(H,10,13)(H,14,15)
InChIKeyZFMUVQSKECLHAK-UHFFFAOYSA-N
MW247.20 g/mol
LogP-2.98
Rot. Bonds2

About 5-oxo-4-(2,3,4-trihydroxyoxolan-2-yl)pyrrolidine-2-carboxylic acid

5-oxo-4-(2,3,4-trihydroxyoxolan-2-yl)pyrrolidine-2-carboxylic acid (PubChem CID 162928959) has the molecular formula C9H13NO7 and a molecular weight of 247.20 g/mol. Its IUPAC name is 5-oxo-4-(2,3,4-trihydroxyoxolan-2-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name5-oxo-4-(2,3,4-trihydroxyoxolan-2-yl)pyrrolidine-2-carboxylic acid
PubChem CID162928959
Molecular FormulaC9H13NO7
Molecular Weight247.20 g/mol
Exact Mass247.07
IUPAC Name5-oxo-4-(2,3,4-trihydroxyoxolan-2-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(C2(O)OCC(O)C2O)C(=O)N1
InChIInChI=1S/C9H13NO7/c11-5-2-17-9(16,6(5)12)3-1-4(8(14)15)10-7(3)13/h3-6,11-12,16H,1-2H2,(H,10,13)(H,14,15)
InChIKeyZFMUVQSKECLHAK-UHFFFAOYSA-N
XLogP-2.98
TPSA136.32 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.20
LogP ≤ 5-2.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

Ascorbalamic acid
CID 71437684
(1S,2S,6S,8R,9R)-8-(carboxymethyl)-4,11-dioxo-3,7-dioxa-10-azatricyclo[6.3.0.02,6]undecane-9-carboxylic acid
CID 118728994
(2S,4R)-5-oxo-4-[(2R,3S,4R)-2,3,4-trihydroxyoxolan-2-yl]pyrrolidine-2-carboxylic acid
CID 162928960
2-(Hydroxymethyl)-2-methoxy-6a-methyl-4-oxo-3,3a,5,6-tetrahydrofuro[2,3-c]pyrrole-6-carboxylic acid
CID 156278200
(2S,4R)-4-hydroxy-5-oxo-4-[(2R,3R,4S)-2,3,4-trihydroxyoxolan-2-yl]pyrrolidine-2-carboxylic acid
CID 162978131
(2S)-4-hydroxy-5-oxo-4-(2,3,4-trihydroxyoxolan-2-yl)pyrrolidine-2-carboxylic acid
CID 90472498
methyl (2S,3R,4S)-4-hydroxy-2-[(4S,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxopyrrolidine-3-carboxylate
CID 102423162
(2S,4R)-4-hydroxy-5-oxo-4-[(2S,3S,4R)-2,3,4-trihydroxyoxolan-2-yl]pyrrolidine-2-carboxylic acid
CID 162978130

Frequently Asked Questions

What is the IUPAC name of 5-oxo-4-(2,3,4-trihydroxyoxolan-2-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 5-oxo-4-(2,3,4-trihydroxyoxolan-2-yl)pyrrolidine-2-carboxylic acid (CID 162928959) is 5-oxo-4-(2,3,4-trihydroxyoxolan-2-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 5-oxo-4-(2,3,4-trihydroxyoxolan-2-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 5-oxo-4-(2,3,4-trihydroxyoxolan-2-yl)pyrrolidine-2-carboxylic acid is O=C(O)C1CC(C2(O)OCC(O)C2O)C(=O)N1.
What is the InChIKey of 5-oxo-4-(2,3,4-trihydroxyoxolan-2-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is ZFMUVQSKECLHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO7/c11-5-2-17-9(16,6(5)12)3-1-4(8(14)15)10-7(3)13/h3-6,11-12,16H,1-2H2,(H,10,13)(H,14,15).
What are the key properties of 5-oxo-4-(2,3,4-trihydroxyoxolan-2-yl)pyrrolidine-2-carboxylic acid?
5-oxo-4-(2,3,4-trihydroxyoxolan-2-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 247.20 g/mol, XLogP of -2.98, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-4-(2,3,4-trihydroxyoxolan-2-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 162928959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).