methyl 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]propanoate

C10H19NO3 — CID 123186191

IUPACmethyl 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]propanoate
SMILESCOC(=O)C(C)/N=C(\C)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-7(9(12)13-6)11-8(2)14-10(3,4)5/h7H,1-6H3/b11-8+
InChIKeySKGCAVGJFNCRMT-DHZHZOJOSA-N
MW201.27 g/mol
LogP1.78
Rot. Bonds2

About methyl 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]propanoate

methyl 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]propanoate (PubChem CID 123186191) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]propanoate
PubChem CID123186191
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]propanoate
SMILESCOC(=O)C(C)/N=C(\C)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-7(9(12)13-6)11-8(2)14-10(3,4)5/h7H,1-6H3/b11-8+
InChIKeySKGCAVGJFNCRMT-DHZHZOJOSA-N
XLogP1.78
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze methyl 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]propanoate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl (2R)-2-isocyanatopropanoate
CID 7159625
tert-butyl (2S)-3-methyl-2H-azirine-2-carboxylate
CID 16127565
Tert-butyl 2-isocyanatopropanoate
CID 2759402
tert-butyl (2S)-2-isocyanatopropanoate
CID 7016232
tert-butyl (2S)-2-[(2-ethoxy-2-oxoethylidene)amino]propanoate
CID 10466357
Tert-butyl 2-(propan-2-ylideneamino)acetate
CID 23137660
Tert-butyl 2-(2-ethoxy-2-oxoethyl)iminopropanoate
CID 54402241
tert-Butyl 2-[(pentan-3-ylidene)amino]acetate
CID 59249456
(s)-2-[3,3-Dimethyl-but-(e)-ylideneamino]-propionic acid tert-butyl ester
CID 59249607
(3-Methoxy-2,3-dimethylbutan-2-yl) 2-(propan-2-ylideneamino)acetate
CID 59969206
Tert-butyl 2-(3,3-dimethylbutylideneamino)propanoate
CID 72244056
Tert-butyl 2-(ethylideneamino)propanoate
CID 85721920

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]propanoate?
The IUPAC name of methyl 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]propanoate (CID 123186191) is methyl 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]propanoate.
What is the SMILES notation for methyl 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]propanoate?
The canonical SMILES for methyl 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]propanoate is COC(=O)C(C)/N=C(\C)OC(C)(C)C.
What is the InChIKey of methyl 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]propanoate?
The InChIKey is SKGCAVGJFNCRMT-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(9(12)13-6)11-8(2)14-10(3,4)5/h7H,1-6H3/b11-8+.
What are the key properties of methyl 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]propanoate?
methyl 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]propanoate has a molecular weight of 201.27 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]propanoate is sourced from PubChem (CID 123186191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).