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

C5H6NNaO3 — CID 23668602

IUPACsodium (2S)-5-oxopyrrolidine-2-carboxylate
SMILESO=C1CC[C@@H](C(=O)[O-])N1.[Na+]
InChIInChI=1S/C5H7NO3.Na/c7-4-2-1-3(6-4)5(8)9;/h3H,1-2H2,(H,6,7)(H,8,9);/q;+1/p-1/t3-;/m0./s1
InChIKeyCRPCXAMJWCDHFM-DFWYDOINSA-M
MW151.10 g/mol
LogP-4.98
Rot. Bonds1

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

sodium (2S)-5-oxopyrrolidine-2-carboxylate (PubChem CID 23668602) has the molecular formula C5H6NNaO3 and a molecular weight of 151.10 g/mol. Its IUPAC name is sodium (2S)-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Namesodium (2S)-5-oxopyrrolidine-2-carboxylate
PubChem CID23668602
Molecular FormulaC5H6NNaO3
Molecular Weight151.10 g/mol
Exact Mass151.02
IUPAC Namesodium (2S)-5-oxopyrrolidine-2-carboxylate
SMILESO=C1CC[C@@H](C(=O)[O-])N1.[Na+]
InChIInChI=1S/C5H7NO3.Na/c7-4-2-1-3(6-4)5(8)9;/h3H,1-2H2,(H,6,7)(H,8,9);/q;+1/p-1/t3-;/m0./s1
InChIKeyCRPCXAMJWCDHFM-DFWYDOINSA-M
XLogP-4.98
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.10
LogP ≤ 5-4.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

L-Pyroglutamic Acid
CID 7405
Magnesium 2-pyrrolidone-5-carboxylate
CID 18601084
Pyrrolidone carboxylic acid
CID 499
Pyroglutamate
CID 5289118
Ethyl 5-oxo-L-prolinate
CID 2724446
Zinc pidolate
CID 11602214
D-Pyroglutamic acid
CID 439685
Potassium pidolate
CID 23684897
Butyl 5-oxo-L-prolinate
CID 107609
Methyl 5-oxo-L-prolinate
CID 78646
Calcium pidolate
CID 14559044
Manganese pidolate
CID 16097728

Frequently Asked Questions

What is the IUPAC name of sodium (2S)-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of sodium (2S)-5-oxopyrrolidine-2-carboxylate (CID 23668602) is sodium (2S)-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for sodium (2S)-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for sodium (2S)-5-oxopyrrolidine-2-carboxylate is O=C1CC[C@@H](C(=O)[O-])N1.[Na+].
What is the InChIKey of sodium (2S)-5-oxopyrrolidine-2-carboxylate?
The InChIKey is CRPCXAMJWCDHFM-DFWYDOINSA-M. The full InChI is InChI=1S/C5H7NO3.Na/c7-4-2-1-3(6-4)5(8)9;/h3H,1-2H2,(H,6,7)(H,8,9);/q;+1/p-1/t3-;/m0./s1.
What are the key properties of sodium (2S)-5-oxopyrrolidine-2-carboxylate?
sodium (2S)-5-oxopyrrolidine-2-carboxylate has a molecular weight of 151.10 g/mol, XLogP of -4.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2S)-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 23668602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).