methyl 2-acetamido-3-(2-methylprop-2-enylamino)propanoate

C10H18N2O3 — CID 103268206

IUPACmethyl 2-acetamido-3-(2-methylprop-2-enylamino)propanoate
SMILESC=C(C)CNCC(NC(C)=O)C(=O)OC
InChIInChI=1S/C10H18N2O3/c1-7(2)5-11-6-9(10(14)15-4)12-8(3)13/h9,11H,1,5-6H2,2-4H3,(H,12,13)
InChIKeyIRFROZPSCZNBID-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.17
Rot. Bonds6

About methyl 2-acetamido-3-(2-methylprop-2-enylamino)propanoate

methyl 2-acetamido-3-(2-methylprop-2-enylamino)propanoate (PubChem CID 103268206) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is methyl 2-acetamido-3-(2-methylprop-2-enylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-(2-methylprop-2-enylamino)propanoate
PubChem CID103268206
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Namemethyl 2-acetamido-3-(2-methylprop-2-enylamino)propanoate
SMILESC=C(C)CNCC(NC(C)=O)C(=O)OC
InChIInChI=1S/C10H18N2O3/c1-7(2)5-11-6-9(10(14)15-4)12-8(3)13/h9,11H,1,5-6H2,2-4H3,(H,12,13)
InChIKeyIRFROZPSCZNBID-UHFFFAOYSA-N
XLogP-0.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-acetamido-3-(2-methylprop-2-enylamino)propanoate 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 2-acetamido-3-(2-methylprop-2-enylamino)propanoate?
The IUPAC name of methyl 2-acetamido-3-(2-methylprop-2-enylamino)propanoate (CID 103268206) is methyl 2-acetamido-3-(2-methylprop-2-enylamino)propanoate.
What is the SMILES notation for methyl 2-acetamido-3-(2-methylprop-2-enylamino)propanoate?
The canonical SMILES for methyl 2-acetamido-3-(2-methylprop-2-enylamino)propanoate is C=C(C)CNCC(NC(C)=O)C(=O)OC.
What is the InChIKey of methyl 2-acetamido-3-(2-methylprop-2-enylamino)propanoate?
The InChIKey is IRFROZPSCZNBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(2)5-11-6-9(10(14)15-4)12-8(3)13/h9,11H,1,5-6H2,2-4H3,(H,12,13).
What are the key properties of methyl 2-acetamido-3-(2-methylprop-2-enylamino)propanoate?
methyl 2-acetamido-3-(2-methylprop-2-enylamino)propanoate has a molecular weight of 214.26 g/mol, XLogP of -0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-(2-methylprop-2-enylamino)propanoate is sourced from PubChem (CID 103268206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).