(2S,3S)-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid

C10H13N3O3 — CID 136589548

IUPAC(2S,3S)-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCN1C(=O)C[C@H](C(=O)O)[C@H]1c1nccn1C
InChIInChI=1S/C10H13N3O3/c1-12-4-3-11-9(12)8-6(10(15)16)5-7(14)13(8)2/h3-4,6,8H,5H2,1-2H3,(H,15,16)/t6-,8-/m0/s1
InChIKeyLBYNVQSMUYOQHC-XPUUQOCRSA-N
MW223.23 g/mol
LogP0.02
Rot. Bonds2

About (2S,3S)-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid

(2S,3S)-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 136589548) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is (2S,3S)-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(2S,3S)-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID136589548
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name(2S,3S)-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCN1C(=O)C[C@H](C(=O)O)[C@H]1c1nccn1C
InChIInChI=1S/C10H13N3O3/c1-12-4-3-11-9(12)8-6(10(15)16)5-7(14)13(8)2/h3-4,6,8H,5H2,1-2H3,(H,15,16)/t6-,8-/m0/s1
InChIKeyLBYNVQSMUYOQHC-XPUUQOCRSA-N
XLogP0.02
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (2S,3S)-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid (CID 136589548) is (2S,3S)-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (2S,3S)-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (2S,3S)-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid is CN1C(=O)C[C@H](C(=O)O)[C@H]1c1nccn1C.
What is the InChIKey of (2S,3S)-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is LBYNVQSMUYOQHC-XPUUQOCRSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-12-4-3-11-9(12)8-6(10(15)16)5-7(14)13(8)2/h3-4,6,8H,5H2,1-2H3,(H,15,16)/t6-,8-/m0/s1.
What are the key properties of (2S,3S)-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid?
(2S,3S)-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 136589548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).