(2S)-5-oxopyrrolidine-2-carboxylate

C5H6NO3- — CID 5289118

IUPAC(2S)-5-oxopyrrolidine-2-carboxylate
SMILESO=C1CC[C@@H](C(=O)[O-])N1
InChIInChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/p-1/t3-/m0/s1
InChIKeyODHCTXKNWHHXJC-VKHMYHEASA-M
MW128.11 g/mol
LogP-1.99
Rot. Bonds1

About (2S)-5-oxopyrrolidine-2-carboxylate

(2S)-5-oxopyrrolidine-2-carboxylate (PubChem CID 5289118) has the molecular formula C5H6NO3- and a molecular weight of 128.11 g/mol. Its IUPAC name is (2S)-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(2S)-5-oxopyrrolidine-2-carboxylate
PubChem CID5289118
Molecular FormulaC5H6NO3-
Molecular Weight128.11 g/mol
Exact Mass128.04
IUPAC Name(2S)-5-oxopyrrolidine-2-carboxylate
SMILESO=C1CC[C@@H](C(=O)[O-])N1
InChIInChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/p-1/t3-/m0/s1
InChIKeyODHCTXKNWHHXJC-VKHMYHEASA-M
XLogP-1.99
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.11
LogP ≤ 5-1.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-5-oxopyrrolidine-2-carboxylate 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

strontium bis(5-oxopyrrolidine-2-carboxylate)
CID 14559047
potassium 5-oxopyrrolidine-2-carboxylate
CID 23673462
barium(2+);bis((2S)-5-oxopyrrolidine-2-carboxylate)
CID 14559050
CID 66963072
CID 66963072
(2R)-5-oxopyrrolidine-2-carbonyl iodide
CID 89494882
4-oxoazetidine-2-carboxylate
CID 22451625
(2S,7S,12S)-5,10,15,20-tetraoxo-1,6,11,16-tetrazacycloicosane-2,7,12,17-tetracarboxylic acid
CID 177496276
(2S)-5-oxo(2,3,4,5-13C4,115N)azolidine-2-carboxylic acid
CID 76973407
5-oxopyrrolidine-2-carboxylic acid;dihydrate
CID 175519070
iron;bis((2S)-5-oxopyrrolidine-2-carboxylic acid)
CID 90659612
chromium;tris((2S)-5-oxopyrrolidine-2-carboxylic acid)
CID 170846266
2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetate
CID 11902929

Frequently Asked Questions

What is the IUPAC name of (2S)-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of (2S)-5-oxopyrrolidine-2-carboxylate (CID 5289118) is (2S)-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for (2S)-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for (2S)-5-oxopyrrolidine-2-carboxylate is O=C1CC[C@@H](C(=O)[O-])N1.
What is the InChIKey of (2S)-5-oxopyrrolidine-2-carboxylate?
The InChIKey is ODHCTXKNWHHXJC-VKHMYHEASA-M. The full InChI is InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/p-1/t3-/m0/s1.
What are the key properties of (2S)-5-oxopyrrolidine-2-carboxylate?
(2S)-5-oxopyrrolidine-2-carboxylate has a molecular weight of 128.11 g/mol, XLogP of -1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 5289118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).