CID 58878985

C9H16N2O3 — CID 58878985

IUPAC—
SMILES[CH]CNC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H16N2O3/c1-5-10-7(12)6-11-8(13)14-9(2,3)4/h1H,5-6H2,2-4H3,(H,10,12)(H,11,13)
InChIKeyGZVYACZDBLBVCP-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.34
Rot. Bonds3

About CID 58878985

CID 58878985 (PubChem CID 58878985) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol.

Molecular Properties

Compound NameCID 58878985
PubChem CID58878985
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name—
SMILES[CH]CNC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H16N2O3/c1-5-10-7(12)6-11-8(13)14-9(2,3)4/h1H,5-6H2,2-4H3,(H,10,12)(H,11,13)
InChIKeyGZVYACZDBLBVCP-UHFFFAOYSA-N
XLogP0.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze CID 58878985 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 CID 58878985?
The IUPAC name of CID 58878985 (CID 58878985) is not available.
What is the SMILES notation for CID 58878985?
The canonical SMILES for CID 58878985 is [CH]CNC(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of CID 58878985?
The InChIKey is GZVYACZDBLBVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-5-10-7(12)6-11-8(13)14-9(2,3)4/h1H,5-6H2,2-4H3,(H,10,12)(H,11,13).
What are the key properties of CID 58878985?
CID 58878985 has a molecular weight of 200.24 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58878985 is sourced from PubChem (CID 58878985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).