2-[1-(2-amino-2-oxoethyl)-5H-1,4-diazepin-4-yl]acetamide

C9H14N4O2 — CID 18001141

IUPAC2-[1-(2-amino-2-oxoethyl)-5H-1,4-diazepin-4-yl]acetamide
SMILESNC(=O)CN1C=CCN(CC(N)=O)C=C1
InChIInChI=1S/C9H14N4O2/c10-8(14)6-12-2-1-3-13(5-4-12)7-9(11)15/h1-2,4-5H,3,6-7H2,(H2,10,14)(H2,11,15)
InChIKeyWUFJJEXXONXAOR-UHFFFAOYSA-N
MW210.24 g/mol
LogP-1.44
Rot. Bonds4

About 2-[1-(2-amino-2-oxoethyl)-5H-1,4-diazepin-4-yl]acetamide

2-[1-(2-amino-2-oxoethyl)-5H-1,4-diazepin-4-yl]acetamide (PubChem CID 18001141) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-[1-(2-amino-2-oxoethyl)-5H-1,4-diazepin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2-amino-2-oxoethyl)-5H-1,4-diazepin-4-yl]acetamide
PubChem CID18001141
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2-[1-(2-amino-2-oxoethyl)-5H-1,4-diazepin-4-yl]acetamide
SMILESNC(=O)CN1C=CCN(CC(N)=O)C=C1
InChIInChI=1S/C9H14N4O2/c10-8(14)6-12-2-1-3-13(5-4-12)7-9(11)15/h1-2,4-5H,3,6-7H2,(H2,10,14)(H2,11,15)
InChIKeyWUFJJEXXONXAOR-UHFFFAOYSA-N
XLogP-1.44
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-(2-amino-2-oxoethyl)-5H-1,4-diazepin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-2-oxoethyl)-5H-1,4-diazepin-4-yl]acetamide?
The IUPAC name of 2-[1-(2-amino-2-oxoethyl)-5H-1,4-diazepin-4-yl]acetamide (CID 18001141) is 2-[1-(2-amino-2-oxoethyl)-5H-1,4-diazepin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(2-amino-2-oxoethyl)-5H-1,4-diazepin-4-yl]acetamide?
The canonical SMILES for 2-[1-(2-amino-2-oxoethyl)-5H-1,4-diazepin-4-yl]acetamide is NC(=O)CN1C=CCN(CC(N)=O)C=C1.
What is the InChIKey of 2-[1-(2-amino-2-oxoethyl)-5H-1,4-diazepin-4-yl]acetamide?
The InChIKey is WUFJJEXXONXAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c10-8(14)6-12-2-1-3-13(5-4-12)7-9(11)15/h1-2,4-5H,3,6-7H2,(H2,10,14)(H2,11,15).
What are the key properties of 2-[1-(2-amino-2-oxoethyl)-5H-1,4-diazepin-4-yl]acetamide?
2-[1-(2-amino-2-oxoethyl)-5H-1,4-diazepin-4-yl]acetamide has a molecular weight of 210.24 g/mol, XLogP of -1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-2-oxoethyl)-5H-1,4-diazepin-4-yl]acetamide is sourced from PubChem (CID 18001141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).