2-[(3S,4S)-4-benzyl-2-oxopyrrolidin-3-yl]acetamide

C13H16N2O2 — CID 132539583

IUPAC2-[(3S,4S)-4-benzyl-2-oxopyrrolidin-3-yl]acetamide
SMILESNC(=O)C[C@@H]1C(=O)NC[C@H]1Cc1ccccc1
InChIInChI=1S/C13H16N2O2/c14-12(16)7-11-10(8-15-13(11)17)6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H2,14,16)(H,15,17)/t10-,11+/m1/s1
InChIKeyTXVPUSPIFFAFAQ-MNOVXSKESA-N
MW232.28 g/mol
LogP0.47
Rot. Bonds4

About 2-[(3S,4S)-4-benzyl-2-oxopyrrolidin-3-yl]acetamide

2-[(3S,4S)-4-benzyl-2-oxopyrrolidin-3-yl]acetamide (PubChem CID 132539583) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[(3S,4S)-4-benzyl-2-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(3S,4S)-4-benzyl-2-oxopyrrolidin-3-yl]acetamide
PubChem CID132539583
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-[(3S,4S)-4-benzyl-2-oxopyrrolidin-3-yl]acetamide
SMILESNC(=O)C[C@@H]1C(=O)NC[C@H]1Cc1ccccc1
InChIInChI=1S/C13H16N2O2/c14-12(16)7-11-10(8-15-13(11)17)6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H2,14,16)(H,15,17)/t10-,11+/m1/s1
InChIKeyTXVPUSPIFFAFAQ-MNOVXSKESA-N
XLogP0.47
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-4-ethylpyrrolidin-2-one;ethane
CID 142181453
(4S)-4-amino-3-benzylpiperidin-2-one
CID 70085513
4-benzyl-3-[2-(cyclohexylmethyl)prop-2-enoyl]pyrrolidin-2-one
CID 141260225
(3R)-4-benzyl-3-tetradecanoylpyrrolidin-2-one
CID 156771960
benzyl (3S)-4-(2-chloro-2-oxoethyl)-5-oxopyrrolidine-3-carboxylate
CID 141279913
(3R)-4-benzyl-3-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]pyrrolidin-2-one
CID 156788011
(4S)-4-benzyl-3-[2-(2-methoxyphenyl)acetyl]pyrrolidin-2-one
CID 141443345
2-[(3R,4R)-4-benzyl-5-oxopyrrolidin-3-yl]-2-oxo-N-propan-2-yloxyacetamide
CID 154608643
(3R)-4-benzyl-3-[(2R)-3-cyclohexyl-2-methylpropanoyl]pyrrolidin-2-one
CID 156788005
2-(2-benzylcyclopropyl)-2-oxoacetamide
CID 57160857
2-benzyl-4-oxo-1,3-diazinane-5-carboxylic acid
CID 73403442
1-(2-amino-2-oxoethyl)-4-benzyl-5-oxopyrrolidine-3-carboxylic acid
CID 138523461

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4S)-4-benzyl-2-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of 2-[(3S,4S)-4-benzyl-2-oxopyrrolidin-3-yl]acetamide (CID 132539583) is 2-[(3S,4S)-4-benzyl-2-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-[(3S,4S)-4-benzyl-2-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-[(3S,4S)-4-benzyl-2-oxopyrrolidin-3-yl]acetamide is NC(=O)C[C@@H]1C(=O)NC[C@H]1Cc1ccccc1.
What is the InChIKey of 2-[(3S,4S)-4-benzyl-2-oxopyrrolidin-3-yl]acetamide?
The InChIKey is TXVPUSPIFFAFAQ-MNOVXSKESA-N. The full InChI is InChI=1S/C13H16N2O2/c14-12(16)7-11-10(8-15-13(11)17)6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H2,14,16)(H,15,17)/t10-,11+/m1/s1.
What are the key properties of 2-[(3S,4S)-4-benzyl-2-oxopyrrolidin-3-yl]acetamide?
2-[(3S,4S)-4-benzyl-2-oxopyrrolidin-3-yl]acetamide has a molecular weight of 232.28 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4S)-4-benzyl-2-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 132539583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).