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

C9H17NO3 — CID 123711525

IUPACmethyl 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]acetate
SMILESCOC(=O)C/N=C(\C)OC(C)(C)C
InChIInChI=1S/C9H17NO3/c1-7(13-9(2,3)4)10-6-8(11)12-5/h6H2,1-5H3/b10-7+
InChIKeyHAMJGOLUDZEXAB-JXMROGBWSA-N
MW187.24 g/mol
LogP1.39
Rot. Bonds2

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

methyl 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]acetate (PubChem CID 123711525) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]acetate
PubChem CID123711525
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]acetate
SMILESCOC(=O)C/N=C(\C)OC(C)(C)C
InChIInChI=1S/C9H17NO3/c1-7(13-9(2,3)4)10-6-8(11)12-5/h6H2,1-5H3/b10-7+
InChIKeyHAMJGOLUDZEXAB-JXMROGBWSA-N
XLogP1.39
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.39
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'}

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Related Compounds

Tert-butyl 2-isocyanatoacetate
CID 20186635
Ethyl 2-(1-ethoxyethylideneamino)acetate
CID 295983
eth-(E)-ylideneamino-acetic acid tert-butyl ester
CID 58046950
[2,2-Dimethyl-prop-(e)-ylideneamino]-acetic acid tert-butyl ester
CID 59249618
Tert-butyl 2-(methylideneamino)acetate
CID 15743659
Tert-butyl 2-(ethoxymethylideneamino)acetate
CID 20029015
Tert-butyl 2-(propan-2-ylideneamino)acetate
CID 23137660
Ethyl 2-(1-ethoxypropylideneamino)acetate
CID 53733028
Tert-butyl 2-(2-ethoxy-2-oxoethyl)iminopropanoate
CID 54402241
[3-Methyl-but-(e)-ylideneamino]-acetic acid tert-butyl ester
CID 59249323
tert-Butyl 2-[(pentan-3-ylidene)amino]acetate
CID 59249456
[2-Methyl-prop-(e)-ylideneamino]-acetic acid tert-butyl ester
CID 59249628

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]acetate?
The IUPAC name of methyl 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]acetate (CID 123711525) is methyl 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]acetate.
What is the SMILES notation for methyl 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]acetate?
The canonical SMILES for methyl 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]acetate is COC(=O)C/N=C(\C)OC(C)(C)C.
What is the InChIKey of methyl 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]acetate?
The InChIKey is HAMJGOLUDZEXAB-JXMROGBWSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(13-9(2,3)4)10-6-8(11)12-5/h6H2,1-5H3/b10-7+.
What are the key properties of methyl 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]acetate?
methyl 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]acetate has a molecular weight of 187.24 g/mol, XLogP of 1.39, 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]acetate is sourced from PubChem (CID 123711525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).