(2S,3R)-1-(2-methoxyethyl)-2-(6-methoxynaphthalen-2-yl)-5-oxopyrrolidine-3-carboxylic acid

C19H21NO5 — CID 95292042

IUPAC(2S,3R)-1-(2-methoxyethyl)-2-(6-methoxynaphthalen-2-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCOCCN1C(=O)C[C@@H](C(=O)O)[C@H]1c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C19H21NO5/c1-24-8-7-20-17(21)11-16(19(22)23)18(20)14-4-3-13-10-15(25-2)6-5-12(13)9-14/h3-6,9-10,16,18H,7-8,11H2,1-2H3,(H,22,23)/t16-,18-/m1/s1
InChIKeyJGZGYOABEOOHPB-SJLPKXTDSA-N
MW343.38 g/mol
LogP2.47
Rot. Bonds6

About (2S,3R)-1-(2-methoxyethyl)-2-(6-methoxynaphthalen-2-yl)-5-oxopyrrolidine-3-carboxylic acid

(2S,3R)-1-(2-methoxyethyl)-2-(6-methoxynaphthalen-2-yl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 95292042) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is (2S,3R)-1-(2-methoxyethyl)-2-(6-methoxynaphthalen-2-yl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(2S,3R)-1-(2-methoxyethyl)-2-(6-methoxynaphthalen-2-yl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID95292042
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name(2S,3R)-1-(2-methoxyethyl)-2-(6-methoxynaphthalen-2-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCOCCN1C(=O)C[C@@H](C(=O)O)[C@H]1c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C19H21NO5/c1-24-8-7-20-17(21)11-16(19(22)23)18(20)14-4-3-13-10-15(25-2)6-5-12(13)9-14/h3-6,9-10,16,18H,7-8,11H2,1-2H3,(H,22,23)/t16-,18-/m1/s1
InChIKeyJGZGYOABEOOHPB-SJLPKXTDSA-N
XLogP2.47
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 63379341
2-(3-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 56827365
2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 167962449
(2S,3R)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 51982857
(2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylate
CID 7144611
2-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 114866524
(2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid
CID 16765282
2-(1,3-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 83095058
1-(3-methoxypropyl)-5-oxo-2-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 167776370
1-butan-2-yl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 53214378
1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 3244527
1-(2-methoxyethyl)-2-(3-methylimidazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 66117272

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1-(2-methoxyethyl)-2-(6-methoxynaphthalen-2-yl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (2S,3R)-1-(2-methoxyethyl)-2-(6-methoxynaphthalen-2-yl)-5-oxopyrrolidine-3-carboxylic acid (CID 95292042) is (2S,3R)-1-(2-methoxyethyl)-2-(6-methoxynaphthalen-2-yl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (2S,3R)-1-(2-methoxyethyl)-2-(6-methoxynaphthalen-2-yl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (2S,3R)-1-(2-methoxyethyl)-2-(6-methoxynaphthalen-2-yl)-5-oxopyrrolidine-3-carboxylic acid is COCCN1C(=O)C[C@@H](C(=O)O)[C@H]1c1ccc2cc(OC)ccc2c1.
What is the InChIKey of (2S,3R)-1-(2-methoxyethyl)-2-(6-methoxynaphthalen-2-yl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is JGZGYOABEOOHPB-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H21NO5/c1-24-8-7-20-17(21)11-16(19(22)23)18(20)14-4-3-13-10-15(25-2)6-5-12(13)9-14/h3-6,9-10,16,18H,7-8,11H2,1-2H3,(H,22,23)/t16-,18-/m1/s1.
What are the key properties of (2S,3R)-1-(2-methoxyethyl)-2-(6-methoxynaphthalen-2-yl)-5-oxopyrrolidine-3-carboxylic acid?
(2S,3R)-1-(2-methoxyethyl)-2-(6-methoxynaphthalen-2-yl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 343.38 g/mol, XLogP of 2.47, 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-(6-methoxynaphthalen-2-yl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 95292042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).