1-(2-amino-2-oxoethyl)-4-benzyl-5-oxopyrrolidine-3-carboxylic acid

C14H16N2O4 — CID 138523461

IUPAC1-(2-amino-2-oxoethyl)-4-benzyl-5-oxopyrrolidine-3-carboxylic acid
SMILESNC(=O)CN1CC(C(=O)O)C(Cc2ccccc2)C1=O
InChIInChI=1S/C14H16N2O4/c15-12(17)8-16-7-11(14(19)20)10(13(16)18)6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H2,15,17)(H,19,20)
InChIKeyOTDFAZMXAOGBDT-UHFFFAOYSA-N
MW276.29 g/mol
LogP-0.13
Rot. Bonds5

About 1-(2-amino-2-oxoethyl)-4-benzyl-5-oxopyrrolidine-3-carboxylic acid

1-(2-amino-2-oxoethyl)-4-benzyl-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 138523461) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-4-benzyl-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-4-benzyl-5-oxopyrrolidine-3-carboxylic acid
PubChem CID138523461
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name1-(2-amino-2-oxoethyl)-4-benzyl-5-oxopyrrolidine-3-carboxylic acid
SMILESNC(=O)CN1CC(C(=O)O)C(Cc2ccccc2)C1=O
InChIInChI=1S/C14H16N2O4/c15-12(17)8-16-7-11(14(19)20)10(13(16)18)6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H2,15,17)(H,19,20)
InChIKeyOTDFAZMXAOGBDT-UHFFFAOYSA-N
XLogP-0.13
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-4-benzyl-5-oxopyrrolidine-1,3-dicarboxylic acid
CID 138523447
4-benzyl-1-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 138523452
4-benzyl-5-oxo-1-(pyrimidin-4-ylmethyl)pyrrolidine-3-carboxylic acid
CID 138523415
2-[(4R)-3-methyl-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 24744224
2-[(3R,4R)-4-benzyl-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-2-oxoacetic acid
CID 138523437
2-[(3S,4S)-4-benzyl-1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]-N-(2-methylpropyl)-2-oxoacetamide
CID 154608665
cis-(1R,2S)-2-benzylcyclopropane-1-carboxylic acid
CID 10487497
cis-(1R,2S)-2-benzylcyclohexane-1-carboxylic acid
CID 71363465
(3S,4R)-4-benzyl-5-oxooxolane-3-carboxylic acid
CID 102287294
2-(4-benzylpiperidin-1-yl)acetamide
CID 6465422
2-[(4R)-4-benzyl-5-oxo-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide
CID 166850913
1-O-butyl 3-O-methyl (3R,4R)-4-benzyl-5-oxopyrrolidine-1,3-dicarboxylate
CID 142553769

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-4-benzyl-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-amino-2-oxoethyl)-4-benzyl-5-oxopyrrolidine-3-carboxylic acid (CID 138523461) is 1-(2-amino-2-oxoethyl)-4-benzyl-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-4-benzyl-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-4-benzyl-5-oxopyrrolidine-3-carboxylic acid is NC(=O)CN1CC(C(=O)O)C(Cc2ccccc2)C1=O.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-4-benzyl-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is OTDFAZMXAOGBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c15-12(17)8-16-7-11(14(19)20)10(13(16)18)6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H2,15,17)(H,19,20).
What are the key properties of 1-(2-amino-2-oxoethyl)-4-benzyl-5-oxopyrrolidine-3-carboxylic acid?
1-(2-amino-2-oxoethyl)-4-benzyl-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-4-benzyl-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 138523461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).