methyl 3-methyl-2-(2-methylpropylideneamino)butanoate

C10H19NO2 — CID 85106742

IUPACmethyl 3-methyl-2-(2-methylpropylideneamino)butanoate
SMILESCOC(=O)C(/N=C/C(C)C)C(C)C
InChIInChI=1S/C10H19NO2/c1-7(2)6-11-9(8(3)4)10(12)13-5/h6-9H,1-5H3/b11-6+
InChIKeySOAUWLMOOYKMBL-IZZDOVSWSA-N
MW185.27 g/mol
LogP1.91
Rot. Bonds4

About methyl 3-methyl-2-(2-methylpropylideneamino)butanoate

methyl 3-methyl-2-(2-methylpropylideneamino)butanoate (PubChem CID 85106742) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 3-methyl-2-(2-methylpropylideneamino)butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-(2-methylpropylideneamino)butanoate
PubChem CID85106742
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 3-methyl-2-(2-methylpropylideneamino)butanoate
SMILESCOC(=O)C(/N=C/C(C)C)C(C)C
InChIInChI=1S/C10H19NO2/c1-7(2)6-11-9(8(3)4)10(12)13-5/h6-9H,1-5H3/b11-6+
InChIKeySOAUWLMOOYKMBL-IZZDOVSWSA-N
XLogP1.91
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-(2-methylpropylideneamino)butanoate?
The IUPAC name of methyl 3-methyl-2-(2-methylpropylideneamino)butanoate (CID 85106742) is methyl 3-methyl-2-(2-methylpropylideneamino)butanoate.
What is the SMILES notation for methyl 3-methyl-2-(2-methylpropylideneamino)butanoate?
The canonical SMILES for methyl 3-methyl-2-(2-methylpropylideneamino)butanoate is COC(=O)C(/N=C/C(C)C)C(C)C.
What is the InChIKey of methyl 3-methyl-2-(2-methylpropylideneamino)butanoate?
The InChIKey is SOAUWLMOOYKMBL-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)6-11-9(8(3)4)10(12)13-5/h6-9H,1-5H3/b11-6+.
What are the key properties of methyl 3-methyl-2-(2-methylpropylideneamino)butanoate?
methyl 3-methyl-2-(2-methylpropylideneamino)butanoate has a molecular weight of 185.27 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-(2-methylpropylideneamino)butanoate is sourced from PubChem (CID 85106742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).