3-amino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide

C12H13N3O3 — CID 43376136

IUPAC3-amino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
SMILESNC(=O)c1ccc(CN2C(=O)CCC2=O)c(N)c1
InChIInChI=1S/C12H13N3O3/c13-9-5-7(12(14)18)1-2-8(9)6-15-10(16)3-4-11(15)17/h1-2,5H,3-4,6,13H2,(H2,14,18)
InChIKeyYZHYHFPRYXCKCX-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.02
Rot. Bonds3

About 3-amino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide

3-amino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 43376136) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 3-amino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
PubChem CID43376136
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name3-amino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
SMILESNC(=O)c1ccc(CN2C(=O)CCC2=O)c(N)c1
InChIInChI=1S/C12H13N3O3/c13-9-5-7(12(14)18)1-2-8(9)6-15-10(16)3-4-11(15)17/h1-2,5H,3-4,6,13H2,(H2,14,18)
InChIKeyYZHYHFPRYXCKCX-UHFFFAOYSA-N
XLogP0.02
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide
CID 43376184
3-amino-4-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 79181075
3-amino-4-ethylbenzamide
CID 19977641
3-amino-4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzamide
CID 63103190
3-amino-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide
CID 43375553
3-amino-4-(methylsulfinylmethyl)benzamide
CID 61289265
3-amino-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 43375573
3-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458852
3-amino-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)benzamide
CID 43375509
3-amino-4-[(4-tert-butylpiperidin-1-yl)methyl]benzamide
CID 62089139
4-[(2-amino-4-carbamoylphenyl)methyl]morpholine-3-carboxamide
CID 83101795
3-amino-4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]benzamide
CID 114393488

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of 3-amino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide (CID 43376136) is 3-amino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for 3-amino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for 3-amino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide is NC(=O)c1ccc(CN2C(=O)CCC2=O)c(N)c1.
What is the InChIKey of 3-amino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is YZHYHFPRYXCKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c13-9-5-7(12(14)18)1-2-8(9)6-15-10(16)3-4-11(15)17/h1-2,5H,3-4,6,13H2,(H2,14,18).
What are the key properties of 3-amino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
3-amino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 247.25 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 43376136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).