(2S,3S)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid

C11H12N2O4 — CID 96899124

IUPAC(2S,3S)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCOc1cc([C@H]2NC(=O)C[C@@H]2C(=O)O)ccn1
InChIInChI=1S/C11H12N2O4/c1-17-9-4-6(2-3-12-9)10-7(11(15)16)5-8(14)13-10/h2-4,7,10H,5H2,1H3,(H,13,14)(H,15,16)/t7-,10+/m0/s1
InChIKeyYYFAMTRJHLEGJC-OIBJUYFYSA-N
MW236.23 g/mol
LogP0.35
Rot. Bonds3

About (2S,3S)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid

(2S,3S)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 96899124) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is (2S,3S)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(2S,3S)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID96899124
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name(2S,3S)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCOc1cc([C@H]2NC(=O)C[C@@H]2C(=O)O)ccn1
InChIInChI=1S/C11H12N2O4/c1-17-9-4-6(2-3-12-9)10-7(11(15)16)5-8(14)13-10/h2-4,7,10H,5H2,1H3,(H,13,14)(H,15,16)/t7-,10+/m0/s1
InChIKeyYYFAMTRJHLEGJC-OIBJUYFYSA-N
XLogP0.35
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (2S,3S)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid (CID 96899124) is (2S,3S)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (2S,3S)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (2S,3S)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid is COc1cc([C@H]2NC(=O)C[C@@H]2C(=O)O)ccn1.
What is the InChIKey of (2S,3S)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is YYFAMTRJHLEGJC-OIBJUYFYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-17-9-4-6(2-3-12-9)10-7(11(15)16)5-8(14)13-10/h2-4,7,10H,5H2,1H3,(H,13,14)(H,15,16)/t7-,10+/m0/s1.
What are the key properties of (2S,3S)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid?
(2S,3S)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 236.23 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 96899124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).