2-[[(3S)-4-oxopyrrolidin-3-yl]methyl]benzamide

C12H14N2O2 — CID 140548089

IUPAC2-[[(3S)-4-oxopyrrolidin-3-yl]methyl]benzamide
SMILESNC(=O)c1ccccc1C[C@H]1CNCC1=O
InChIInChI=1S/C12H14N2O2/c13-12(16)10-4-2-1-3-8(10)5-9-6-14-7-11(9)15/h1-4,9,14H,5-7H2,(H2,13,16)/t9-/m0/s1
InChIKeyZHZWARQQFFASOQ-VIFPVBQESA-N
MW218.26 g/mol
LogP0.12
Rot. Bonds3

About 2-[[(3S)-4-oxopyrrolidin-3-yl]methyl]benzamide

2-[[(3S)-4-oxopyrrolidin-3-yl]methyl]benzamide (PubChem CID 140548089) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[[(3S)-4-oxopyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2-[[(3S)-4-oxopyrrolidin-3-yl]methyl]benzamide
PubChem CID140548089
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-[[(3S)-4-oxopyrrolidin-3-yl]methyl]benzamide
SMILESNC(=O)c1ccccc1C[C@H]1CNCC1=O
InChIInChI=1S/C12H14N2O2/c13-12(16)10-4-2-1-3-8(10)5-9-6-14-7-11(9)15/h1-4,9,14H,5-7H2,(H2,13,16)/t9-/m0/s1
InChIKeyZHZWARQQFFASOQ-VIFPVBQESA-N
XLogP0.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 69169822
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CID 143301867
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CID 159137360
2-[[(6-oxopiperidin-3-yl)amino]methyl]benzamide
CID 63663722
2-(4-piperidin-4-ylbutyl)benzamide
CID 143660610
2-[(4-methylpiperidin-3-yl)oxymethyl]benzamide
CID 102954062
2-[(2Z)-2-amino-2-hydroxyiminoethyl]benzamide
CID 164703528
2-[(2S)-2-hydroxy-2-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]benzamide
CID 153284714

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-4-oxopyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 2-[[(3S)-4-oxopyrrolidin-3-yl]methyl]benzamide (CID 140548089) is 2-[[(3S)-4-oxopyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 2-[[(3S)-4-oxopyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 2-[[(3S)-4-oxopyrrolidin-3-yl]methyl]benzamide is NC(=O)c1ccccc1C[C@H]1CNCC1=O.
What is the InChIKey of 2-[[(3S)-4-oxopyrrolidin-3-yl]methyl]benzamide?
The InChIKey is ZHZWARQQFFASOQ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14N2O2/c13-12(16)10-4-2-1-3-8(10)5-9-6-14-7-11(9)15/h1-4,9,14H,5-7H2,(H2,13,16)/t9-/m0/s1.
What are the key properties of 2-[[(3S)-4-oxopyrrolidin-3-yl]methyl]benzamide?
2-[[(3S)-4-oxopyrrolidin-3-yl]methyl]benzamide has a molecular weight of 218.26 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-4-oxopyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 140548089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).