(2R)-1-benzyl-2-ethyl-4-oxopyrrolidine-2-carboxylic acid

C14H17NO3 — CID 67741255

IUPAC(2R)-1-benzyl-2-ethyl-4-oxopyrrolidine-2-carboxylic acid
SMILESCC[C@]1(C(=O)O)CC(=O)CN1Cc1ccccc1
InChIInChI=1S/C14H17NO3/c1-2-14(13(17)18)8-12(16)10-15(14)9-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,17,18)/t14-/m1/s1
InChIKeyIWZCCXGWCQEGJV-CQSZACIVSA-N
MW247.29 g/mol
LogP1.69
Rot. Bonds4

About (2R)-1-benzyl-2-ethyl-4-oxopyrrolidine-2-carboxylic acid

(2R)-1-benzyl-2-ethyl-4-oxopyrrolidine-2-carboxylic acid (PubChem CID 67741255) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is (2R)-1-benzyl-2-ethyl-4-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-benzyl-2-ethyl-4-oxopyrrolidine-2-carboxylic acid
PubChem CID67741255
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name(2R)-1-benzyl-2-ethyl-4-oxopyrrolidine-2-carboxylic acid
SMILESCC[C@]1(C(=O)O)CC(=O)CN1Cc1ccccc1
InChIInChI=1S/C14H17NO3/c1-2-14(13(17)18)8-12(16)10-15(14)9-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,17,18)/t14-/m1/s1
InChIKeyIWZCCXGWCQEGJV-CQSZACIVSA-N
XLogP1.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83070927
(2R)-1,2-dibenzyl-4-oxoazetidine-2-carboxylic acid
CID 86338341
(2S,4S)-1-benzyl-2,4-diethylazetidine-2,4-dicarboxylate
CID 135393408
2-ethyl-1-(2-phenylethyl)pyrrolidine-2-carboxylic acid
CID 83080889
methyl 1-benzyl-2-methylaziridine-2-carboxylate
CID 15098328
1-benzyl-2,2-dimethylpiperidin-4-one
CID 4070912
1-benzyl-5-methyl-2-oxo-3H-pyrrole-4-carboxylic acid
CID 23008694
1-[[4-(dimethylamino)phenyl]methyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83080124
1,2-dibenzylpiperazine-2-carboxylic acid
CID 174963480
1-benzyl-1-azaspiro[5.5]undecan-3-one
CID 102381827
2-benzoyl-1-benzyl-5,5-diethylpyrazolidin-3-one
CID 101421866
1-benzyl-2-(hydroxymethyl)-5-methylpyrrolidine-2-carboxylic acid
CID 90319609

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-2-ethyl-4-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-benzyl-2-ethyl-4-oxopyrrolidine-2-carboxylic acid (CID 67741255) is (2R)-1-benzyl-2-ethyl-4-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-benzyl-2-ethyl-4-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-benzyl-2-ethyl-4-oxopyrrolidine-2-carboxylic acid is CC[C@]1(C(=O)O)CC(=O)CN1Cc1ccccc1.
What is the InChIKey of (2R)-1-benzyl-2-ethyl-4-oxopyrrolidine-2-carboxylic acid?
The InChIKey is IWZCCXGWCQEGJV-CQSZACIVSA-N. The full InChI is InChI=1S/C14H17NO3/c1-2-14(13(17)18)8-12(16)10-15(14)9-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,17,18)/t14-/m1/s1.
What are the key properties of (2R)-1-benzyl-2-ethyl-4-oxopyrrolidine-2-carboxylic acid?
(2R)-1-benzyl-2-ethyl-4-oxopyrrolidine-2-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-2-ethyl-4-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67741255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).