(2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylate

C14H16NO4- — CID 7144611

IUPAC(2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylate
SMILESCOCCN1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1ccccc1
InChIInChI=1S/C14H17NO4/c1-19-8-7-15-12(16)9-11(14(17)18)13(15)10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3,(H,17,18)/p-1/t11-,13+/m1/s1
InChIKeyLWLDIFNJOLYNQS-YPMHNXCESA-M
MW262.28 g/mol
LogP-0.03
Rot. Bonds5

About (2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylate

(2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylate (PubChem CID 7144611) has the molecular formula C14H16NO4- and a molecular weight of 262.28 g/mol. Its IUPAC name is (2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylate
PubChem CID7144611
Molecular FormulaC14H16NO4-
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name(2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylate
SMILESCOCCN1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1ccccc1
InChIInChI=1S/C14H17NO4/c1-19-8-7-15-12(16)9-11(14(17)18)13(15)10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3,(H,17,18)/p-1/t11-,13+/m1/s1
InChIKeyLWLDIFNJOLYNQS-YPMHNXCESA-M
XLogP-0.03
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-N,1-bis(2-methoxyethyl)-N-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 110087249
(2S,3R)-1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylate
CID 7784530
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
(2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 110087574
(2R,3R)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 110087426
(2S,3R)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 51982857
(2R,3R)-1-(2-hydroxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 125421430
(2S,3R)-1-(2-methoxyethyl)-2-(6-methoxynaphthalen-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 95292042
2-(2-cyanophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 107936802
(2S,3R)-1-dodecyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 99119850
(2R,3S)-1-butyl-6-oxo-2-phenylpiperidine-3-carboxylate
CID 7094966

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylate?
The IUPAC name of (2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylate (CID 7144611) is (2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylate.
What is the SMILES notation for (2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylate?
The canonical SMILES for (2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylate is COCCN1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylate?
The InChIKey is LWLDIFNJOLYNQS-YPMHNXCESA-M. The full InChI is InChI=1S/C14H17NO4/c1-19-8-7-15-12(16)9-11(14(17)18)13(15)10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3,(H,17,18)/p-1/t11-,13+/m1/s1.
What are the key properties of (2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylate?
(2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylate has a molecular weight of 262.28 g/mol, XLogP of -0.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylate is sourced from PubChem (CID 7144611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).