ethyl 2-methyl-3-methyliminopropanoate

C7H13NO2 — CID 57007445

IUPACethyl 2-methyl-3-methyliminopropanoate
SMILESCCOC(=O)C(C)/C=N/C
InChIInChI=1S/C7H13NO2/c1-4-10-7(9)6(2)5-8-3/h5-6H,4H2,1-3H3/b8-5+
InChIKeyTUGJCBYYHANYCO-VMPITWQZSA-N
MW143.19 g/mol
LogP0.89
Rot. Bonds3

About ethyl 2-methyl-3-methyliminopropanoate

ethyl 2-methyl-3-methyliminopropanoate (PubChem CID 57007445) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is ethyl 2-methyl-3-methyliminopropanoate.

Molecular Properties

Compound Nameethyl 2-methyl-3-methyliminopropanoate
PubChem CID57007445
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Nameethyl 2-methyl-3-methyliminopropanoate
SMILESCCOC(=O)C(C)/C=N/C
InChIInChI=1S/C7H13NO2/c1-4-10-7(9)6(2)5-8-3/h5-6H,4H2,1-3H3/b8-5+
InChIKeyTUGJCBYYHANYCO-VMPITWQZSA-N
XLogP0.89
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.89
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
Ethyl 3-iminopropanoate
CID 22749237
Ethyl 3-imino-2-methylpropanoate
CID 54550112
ethyl (NE)-N-(2-methylpropylidene)carbamate
CID 87149029
Methyl 3-ethyliminopropanoate
CID 7054794
Ethyl 3-ethyliminopropanoate
CID 7838994
ethyl (3E)-3-ethoxyiminopropanoate
CID 15681769
Ethyl 3-methyliminopropanoate
CID 18322596
Ethyl 2-(2-methylpropylideneamino)acetate
CID 20221994
Butyl 3-imino-2-methylpropanoate
CID 53647701
Methyl 3-imino-2-methylpropanoate
CID 53852807
Methyl 3-tert-butyliminopropanoate
CID 53859319

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-methyliminopropanoate?
The IUPAC name of ethyl 2-methyl-3-methyliminopropanoate (CID 57007445) is ethyl 2-methyl-3-methyliminopropanoate.
What is the SMILES notation for ethyl 2-methyl-3-methyliminopropanoate?
The canonical SMILES for ethyl 2-methyl-3-methyliminopropanoate is CCOC(=O)C(C)/C=N/C.
What is the InChIKey of ethyl 2-methyl-3-methyliminopropanoate?
The InChIKey is TUGJCBYYHANYCO-VMPITWQZSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-10-7(9)6(2)5-8-3/h5-6H,4H2,1-3H3/b8-5+.
What are the key properties of ethyl 2-methyl-3-methyliminopropanoate?
ethyl 2-methyl-3-methyliminopropanoate has a molecular weight of 143.19 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-methyliminopropanoate is sourced from PubChem (CID 57007445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).