methyl 2-(2,2-dimethylpropylideneamino)acetate

C8H15NO2 — CID 11400915

IUPACmethyl 2-(2,2-dimethylpropylideneamino)acetate
SMILESCOC(=O)C/N=C/C(C)(C)C
InChIInChI=1S/C8H15NO2/c1-8(2,3)6-9-5-7(10)11-4/h6H,5H2,1-4H3/b9-6+
InChIKeyBAQUMMOAOHSTKM-RMKNXTFCSA-N
MW157.21 g/mol
LogP1.28
Rot. Bonds2

About methyl 2-(2,2-dimethylpropylideneamino)acetate

methyl 2-(2,2-dimethylpropylideneamino)acetate (PubChem CID 11400915) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is methyl 2-(2,2-dimethylpropylideneamino)acetate.

Molecular Properties

Compound Namemethyl 2-(2,2-dimethylpropylideneamino)acetate
PubChem CID11400915
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namemethyl 2-(2,2-dimethylpropylideneamino)acetate
SMILESCOC(=O)C/N=C/C(C)(C)C
InChIInChI=1S/C8H15NO2/c1-8(2,3)6-9-5-7(10)11-4/h6H,5H2,1-4H3/b9-6+
InChIKeyBAQUMMOAOHSTKM-RMKNXTFCSA-N
XLogP1.28
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-(2-methylpropylideneamino)acetate
CID 13125041
[2,2-Dimethyl-prop-(e)-ylideneamino]-acetic acid tert-butyl ester
CID 59249618
[3-methyl-but-(E)-ylideneamino]-acetic acid methyl ester
CID 87096444
Methyl 2-(butylideneamino)acetate
CID 139254783
5(4H)-Oxazolone, 2-(1,1-dimethylethyl)-
CID 545214
N-(2-methoxy-2-oxoethyl)-2,2-dimethylpropan-1-imine oxide
CID 134997260
Ethyl 2-[(2,2-dimethylpropylidene)amino]propanoate
CID 10797610
Ethyl 2-(2,2-dimethylpropylideneamino)acetate
CID 10910014
N-neopentylidene-L-alanine ethyl ester
CID 11412788
2-(2,2-Dimethylpropylideneamino)acetic acid
CID 15088230
Ethyl 2-(2-methylpropylideneamino)acetate
CID 20221994
[3,3-dimethyl-but-(E)-ylideneamino]-acetic acid methyl ester
CID 58046949

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2-dimethylpropylideneamino)acetate?
The IUPAC name of methyl 2-(2,2-dimethylpropylideneamino)acetate (CID 11400915) is methyl 2-(2,2-dimethylpropylideneamino)acetate.
What is the SMILES notation for methyl 2-(2,2-dimethylpropylideneamino)acetate?
The canonical SMILES for methyl 2-(2,2-dimethylpropylideneamino)acetate is COC(=O)C/N=C/C(C)(C)C.
What is the InChIKey of methyl 2-(2,2-dimethylpropylideneamino)acetate?
The InChIKey is BAQUMMOAOHSTKM-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(2,3)6-9-5-7(10)11-4/h6H,5H2,1-4H3/b9-6+.
What are the key properties of methyl 2-(2,2-dimethylpropylideneamino)acetate?
methyl 2-(2,2-dimethylpropylideneamino)acetate has a molecular weight of 157.21 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2-dimethylpropylideneamino)acetate is sourced from PubChem (CID 11400915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).