ethyl 2-methyl-3-(2-methylpropylimino)propanoate

C10H19NO2 — CID 90742363

IUPACethyl 2-methyl-3-(2-methylpropylimino)propanoate
SMILESCCOC(=O)C(C)/C=N/CC(C)C
InChIInChI=1S/C10H19NO2/c1-5-13-10(12)9(4)7-11-6-8(2)3/h7-9H,5-6H2,1-4H3/b11-7+
InChIKeyNEAMEYPFCMBLAI-YRNVUSSQSA-N
MW185.27 g/mol
LogP1.91
Rot. Bonds5

About ethyl 2-methyl-3-(2-methylpropylimino)propanoate

ethyl 2-methyl-3-(2-methylpropylimino)propanoate (PubChem CID 90742363) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethyl 2-methyl-3-(2-methylpropylimino)propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-3-(2-methylpropylimino)propanoate
PubChem CID90742363
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethyl 2-methyl-3-(2-methylpropylimino)propanoate
SMILESCCOC(=O)C(C)/C=N/CC(C)C
InChIInChI=1S/C10H19NO2/c1-5-13-10(12)9(4)7-11-6-8(2)3/h7-9H,5-6H2,1-4H3/b11-7+
InChIKeyNEAMEYPFCMBLAI-YRNVUSSQSA-N
XLogP1.91
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.91
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

Ethyl 3-imino-2-methylpropanoate
CID 54550112
(3-Ethoxy-2,2-dimethyl-3-oxopropylidene)-dimethylazanium iodide
CID 12349173
Methyl 3-ethyliminopropanoate
CID 7054794
Ethyl 3-ethyliminopropanoate
CID 7838994
Ethyl 3-methyliminopropanoate
CID 18322596
Ethyl 2-(2-methylpropylideneamino)acetate
CID 20221994
(3-Imino-2,2-dimethylpropyl) 2-methylpropanoate
CID 23064745
Butyl 3-imino-2-methylpropanoate
CID 53647701
Methyl 3-tert-butyliminopropanoate
CID 53859319
Ethyl 3-butyliminopropanoate
CID 54181998
Ethyl 3-(2-methylpropylimino)butanoate
CID 54534452
3-(Butoxymethylimino)-2-methylpropanoic acid
CID 54544314

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-(2-methylpropylimino)propanoate?
The IUPAC name of ethyl 2-methyl-3-(2-methylpropylimino)propanoate (CID 90742363) is ethyl 2-methyl-3-(2-methylpropylimino)propanoate.
What is the SMILES notation for ethyl 2-methyl-3-(2-methylpropylimino)propanoate?
The canonical SMILES for ethyl 2-methyl-3-(2-methylpropylimino)propanoate is CCOC(=O)C(C)/C=N/CC(C)C.
What is the InChIKey of ethyl 2-methyl-3-(2-methylpropylimino)propanoate?
The InChIKey is NEAMEYPFCMBLAI-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-13-10(12)9(4)7-11-6-8(2)3/h7-9H,5-6H2,1-4H3/b11-7+.
What are the key properties of ethyl 2-methyl-3-(2-methylpropylimino)propanoate?
ethyl 2-methyl-3-(2-methylpropylimino)propanoate has a molecular weight of 185.27 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-(2-methylpropylimino)propanoate is sourced from PubChem (CID 90742363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).