methyl 2-oxo-2-(propoxyamino)acetate

C6H11NO4 — CID 15007507

IUPACmethyl 2-oxo-2-(propoxyamino)acetate
SMILESCCCONC(=O)C(=O)OC
InChIInChI=1S/C6H11NO4/c1-3-4-11-7-5(8)6(9)10-2/h3-4H2,1-2H3,(H,7,8)
InChIKeyXRQLIABDILIHBZ-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.38
Rot. Bonds3

About methyl 2-oxo-2-(propoxyamino)acetate

methyl 2-oxo-2-(propoxyamino)acetate (PubChem CID 15007507) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is methyl 2-oxo-2-(propoxyamino)acetate.

Molecular Properties

Compound Namemethyl 2-oxo-2-(propoxyamino)acetate
PubChem CID15007507
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Namemethyl 2-oxo-2-(propoxyamino)acetate
SMILESCCCONC(=O)C(=O)OC
InChIInChI=1S/C6H11NO4/c1-3-4-11-7-5(8)6(9)10-2/h3-4H2,1-2H3,(H,7,8)
InChIKeyXRQLIABDILIHBZ-UHFFFAOYSA-N
XLogP-0.38
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 2-oxo-2-(propoxyamino)acetate 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 methyl 2-oxo-2-(propoxyamino)acetate?
The IUPAC name of methyl 2-oxo-2-(propoxyamino)acetate (CID 15007507) is methyl 2-oxo-2-(propoxyamino)acetate.
What is the SMILES notation for methyl 2-oxo-2-(propoxyamino)acetate?
The canonical SMILES for methyl 2-oxo-2-(propoxyamino)acetate is CCCONC(=O)C(=O)OC.
What is the InChIKey of methyl 2-oxo-2-(propoxyamino)acetate?
The InChIKey is XRQLIABDILIHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-3-4-11-7-5(8)6(9)10-2/h3-4H2,1-2H3,(H,7,8).
What are the key properties of methyl 2-oxo-2-(propoxyamino)acetate?
methyl 2-oxo-2-(propoxyamino)acetate has a molecular weight of 161.16 g/mol, XLogP of -0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-2-(propoxyamino)acetate is sourced from PubChem (CID 15007507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).