2-acetyl-4-amino-3-oxopentanamide

C7H12N2O3 — CID 91493082

IUPAC2-acetyl-4-amino-3-oxopentanamide
SMILESCC(=O)C(C(N)=O)C(=O)C(C)N
InChIInChI=1S/C7H12N2O3/c1-3(8)6(11)5(4(2)10)7(9)12/h3,5H,8H2,1-2H3,(H2,9,12)
InChIKeyRPDMKEGLUUGCSL-UHFFFAOYSA-N
MW172.18 g/mol
LogP-1.41
Rot. Bonds4

About 2-acetyl-4-amino-3-oxopentanamide

2-acetyl-4-amino-3-oxopentanamide (PubChem CID 91493082) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 2-acetyl-4-amino-3-oxopentanamide.

Molecular Properties

Compound Name2-acetyl-4-amino-3-oxopentanamide
PubChem CID91493082
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name2-acetyl-4-amino-3-oxopentanamide
SMILESCC(=O)C(C(N)=O)C(=O)C(C)N
InChIInChI=1S/C7H12N2O3/c1-3(8)6(11)5(4(2)10)7(9)12/h3,5H,8H2,1-2H3,(H2,9,12)
InChIKeyRPDMKEGLUUGCSL-UHFFFAOYSA-N
XLogP-1.41
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-acetyl-4-amino-3-oxopentanamide 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-acetyl-4-amino-3-oxopentanamide?
The IUPAC name of 2-acetyl-4-amino-3-oxopentanamide (CID 91493082) is 2-acetyl-4-amino-3-oxopentanamide.
What is the SMILES notation for 2-acetyl-4-amino-3-oxopentanamide?
The canonical SMILES for 2-acetyl-4-amino-3-oxopentanamide is CC(=O)C(C(N)=O)C(=O)C(C)N.
What is the InChIKey of 2-acetyl-4-amino-3-oxopentanamide?
The InChIKey is RPDMKEGLUUGCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-3(8)6(11)5(4(2)10)7(9)12/h3,5H,8H2,1-2H3,(H2,9,12).
What are the key properties of 2-acetyl-4-amino-3-oxopentanamide?
2-acetyl-4-amino-3-oxopentanamide has a molecular weight of 172.18 g/mol, XLogP of -1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-4-amino-3-oxopentanamide is sourced from PubChem (CID 91493082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).