(2S,3R)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid

C15H19NO5 — CID 51982857

IUPAC(2S,3R)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCOCCN1C(=O)C[C@@H](C(=O)O)[C@H]1c1ccccc1OC
InChIInChI=1S/C15H19NO5/c1-20-8-7-16-13(17)9-11(15(18)19)14(16)10-5-3-4-6-12(10)21-2/h3-6,11,14H,7-9H2,1-2H3,(H,18,19)/t11-,14-/m1/s1
InChIKeyDJPGOIQXHFUCBE-BXUZGUMPSA-N
MW293.32 g/mol
LogP1.32
Rot. Bonds6

About (2S,3R)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid

(2S,3R)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 51982857) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is (2S,3R)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(2S,3R)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID51982857
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name(2S,3R)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCOCCN1C(=O)C[C@@H](C(=O)O)[C@H]1c1ccccc1OC
InChIInChI=1S/C15H19NO5/c1-20-8-7-16-13(17)9-11(15(18)19)14(16)10-5-3-4-6-12(10)21-2/h3-6,11,14H,7-9H2,1-2H3,(H,18,19)/t11-,14-/m1/s1
InChIKeyDJPGOIQXHFUCBE-BXUZGUMPSA-N
XLogP1.32
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyanophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 107936802
(2R,3S)-2-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 51970481
(2R,3R)-N-(3-hydroxypropyl)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 110087628
(2R,3R)-2-(2-ethoxyphenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylic acid
CID 16765267
2-(4-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 63379341
2-(1,3-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 83095058
2-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 114866524
2-(3-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 56827365
(2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylate
CID 7144611
1-(2-methoxyethyl)-2-(3-methylimidazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 66117272
(2S,3R)-1-(2-methoxyethyl)-2-(6-methoxynaphthalen-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 95292042
(2R,3R)-2-(2-chlorophenyl)-1-(2-methoxyethyl)-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 110087321

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (2S,3R)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid (CID 51982857) is (2S,3R)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (2S,3R)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (2S,3R)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid is COCCN1C(=O)C[C@@H](C(=O)O)[C@H]1c1ccccc1OC.
What is the InChIKey of (2S,3R)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is DJPGOIQXHFUCBE-BXUZGUMPSA-N. The full InChI is InChI=1S/C15H19NO5/c1-20-8-7-16-13(17)9-11(15(18)19)14(16)10-5-3-4-6-12(10)21-2/h3-6,11,14H,7-9H2,1-2H3,(H,18,19)/t11-,14-/m1/s1.
What are the key properties of (2S,3R)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
(2S,3R)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 51982857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).