ethyl 3-tert-butylimino-2-methylpropanoate

C10H19NO2 — CID 57271207

IUPACethyl 3-tert-butylimino-2-methylpropanoate
SMILESCCOC(=O)C(C)/C=N/C(C)(C)C
InChIInChI=1S/C10H19NO2/c1-6-13-9(12)8(2)7-11-10(3,4)5/h7-8H,6H2,1-5H3/b11-7+
InChIKeyYWHKWQJTJLQSHJ-YRNVUSSQSA-N
MW185.27 g/mol
LogP2.05
Rot. Bonds3

About ethyl 3-tert-butylimino-2-methylpropanoate

ethyl 3-tert-butylimino-2-methylpropanoate (PubChem CID 57271207) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethyl 3-tert-butylimino-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-tert-butylimino-2-methylpropanoate
PubChem CID57271207
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethyl 3-tert-butylimino-2-methylpropanoate
SMILESCCOC(=O)C(C)/C=N/C(C)(C)C
InChIInChI=1S/C10H19NO2/c1-6-13-9(12)8(2)7-11-10(3,4)5/h7-8H,6H2,1-5H3/b11-7+
InChIKeyYWHKWQJTJLQSHJ-YRNVUSSQSA-N
XLogP2.05
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.05
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 2-tert-butyliminoacetate
CID 101941184
Ethyl 3-ethyliminopropanoate
CID 7838994
Ethyl 3-methyliminopropanoate
CID 18322596
Propan-2-yl 4-tert-butyliminobutanoate
CID 23460804
Methyl 3-tert-butyliminopropanoate
CID 53859319
Ethyl 3-butyliminopropanoate
CID 54181998
Ethyl 3-(2-methylpropylimino)butanoate
CID 54534452
Methyl 3-tert-butylimino-2-methylpropanoate
CID 57003787
Ethyl 2-methyl-3-methyliminopropanoate
CID 57007445
Ethyl 3-butylimino-2-methylpropanoate
CID 57183521
Ethyl 3-ethylimino-2-methylpropanoate
CID 57236198
Ethyl 2-methyl-3-propyliminopropanoate
CID 57319007

Frequently Asked Questions

What is the IUPAC name of ethyl 3-tert-butylimino-2-methylpropanoate?
The IUPAC name of ethyl 3-tert-butylimino-2-methylpropanoate (CID 57271207) is ethyl 3-tert-butylimino-2-methylpropanoate.
What is the SMILES notation for ethyl 3-tert-butylimino-2-methylpropanoate?
The canonical SMILES for ethyl 3-tert-butylimino-2-methylpropanoate is CCOC(=O)C(C)/C=N/C(C)(C)C.
What is the InChIKey of ethyl 3-tert-butylimino-2-methylpropanoate?
The InChIKey is YWHKWQJTJLQSHJ-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H19NO2/c1-6-13-9(12)8(2)7-11-10(3,4)5/h7-8H,6H2,1-5H3/b11-7+.
What are the key properties of ethyl 3-tert-butylimino-2-methylpropanoate?
ethyl 3-tert-butylimino-2-methylpropanoate has a molecular weight of 185.27 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-tert-butylimino-2-methylpropanoate is sourced from PubChem (CID 57271207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).