methyl (2S)-3-methyl-2-(methylideneamino)butanoate

C7H13NO2 — CID 15723064

IUPACmethyl (2S)-3-methyl-2-(methylideneamino)butanoate
SMILESC=N[C@H](C(=O)OC)C(C)C
InChIInChI=1S/C7H13NO2/c1-5(2)6(8-3)7(9)10-4/h5-6H,3H2,1-2,4H3/t6-/m0/s1
InChIKeyUBRROWALNGBHEK-LURJTMIESA-N
MW143.19 g/mol
LogP0.88
Rot. Bonds3

About methyl (2S)-3-methyl-2-(methylideneamino)butanoate

methyl (2S)-3-methyl-2-(methylideneamino)butanoate (PubChem CID 15723064) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is methyl (2S)-3-methyl-2-(methylideneamino)butanoate.

Molecular Properties

Compound Namemethyl (2S)-3-methyl-2-(methylideneamino)butanoate
PubChem CID15723064
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Namemethyl (2S)-3-methyl-2-(methylideneamino)butanoate
SMILESC=N[C@H](C(=O)OC)C(C)C
InChIInChI=1S/C7H13NO2/c1-5(2)6(8-3)7(9)10-4/h5-6H,3H2,1-2,4H3/t6-/m0/s1
InChIKeyUBRROWALNGBHEK-LURJTMIESA-N
XLogP0.88
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 ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (2S)-3-methyl-2-(methylideneamino)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-methyl-2-(methylideneamino)butanoate?
The IUPAC name of methyl (2S)-3-methyl-2-(methylideneamino)butanoate (CID 15723064) is methyl (2S)-3-methyl-2-(methylideneamino)butanoate.
What is the SMILES notation for methyl (2S)-3-methyl-2-(methylideneamino)butanoate?
The canonical SMILES for methyl (2S)-3-methyl-2-(methylideneamino)butanoate is C=N[C@H](C(=O)OC)C(C)C.
What is the InChIKey of methyl (2S)-3-methyl-2-(methylideneamino)butanoate?
The InChIKey is UBRROWALNGBHEK-LURJTMIESA-N. The full InChI is InChI=1S/C7H13NO2/c1-5(2)6(8-3)7(9)10-4/h5-6H,3H2,1-2,4H3/t6-/m0/s1.
What are the key properties of methyl (2S)-3-methyl-2-(methylideneamino)butanoate?
methyl (2S)-3-methyl-2-(methylideneamino)butanoate has a molecular weight of 143.19 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-methyl-2-(methylideneamino)butanoate is sourced from PubChem (CID 15723064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).