methyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylimino]acetate

C9H17NO3 — CID 139818694

IUPACmethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylimino]acetate
SMILESCOC(=O)/C=N/CCOC(C)(C)C
InChIInChI=1S/C9H17NO3/c1-9(2,3)13-6-5-10-7-8(11)12-4/h7H,5-6H2,1-4H3/b10-7+
InChIKeyWPGMXNWAGHQPHK-JXMROGBWSA-N
MW187.24 g/mol
LogP1.05
Rot. Bonds4

About methyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylimino]acetate

methyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylimino]acetate (PubChem CID 139818694) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylimino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylimino]acetate
PubChem CID139818694
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylimino]acetate
SMILESCOC(=O)/C=N/CCOC(C)(C)C
InChIInChI=1S/C9H17NO3/c1-9(2,3)13-6-5-10-7-8(11)12-4/h7H,5-6H2,1-4H3/b10-7+
InChIKeyWPGMXNWAGHQPHK-JXMROGBWSA-N
XLogP1.05
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze methyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylimino]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-[2-[(2-methylpropan-2-yl)oxy]ethylimino]acetate?
The IUPAC name of methyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylimino]acetate (CID 139818694) is methyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylimino]acetate.
What is the SMILES notation for methyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylimino]acetate?
The canonical SMILES for methyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylimino]acetate is COC(=O)/C=N/CCOC(C)(C)C.
What is the InChIKey of methyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylimino]acetate?
The InChIKey is WPGMXNWAGHQPHK-JXMROGBWSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(2,3)13-6-5-10-7-8(11)12-4/h7H,5-6H2,1-4H3/b10-7+.
What are the key properties of methyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylimino]acetate?
methyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylimino]acetate has a molecular weight of 187.24 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylimino]acetate is sourced from PubChem (CID 139818694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).