methyl 2-[2-chloroprop-2-enyl(methyl)amino]-2-methylpropanoate

C9H16ClNO2 — CID 75386746

IUPACmethyl 2-[2-chloroprop-2-enyl(methyl)amino]-2-methylpropanoate
SMILESC=C(Cl)CN(C)C(C)(C)C(=O)OC
InChIInChI=1S/C9H16ClNO2/c1-7(10)6-11(4)9(2,3)8(12)13-5/h1,6H2,2-5H3
InChIKeyAGTJKTCIVYEPGD-UHFFFAOYSA-N
MW205.68 g/mol
LogP1.62
Rot. Bonds4

About methyl 2-[2-chloroprop-2-enyl(methyl)amino]-2-methylpropanoate

methyl 2-[2-chloroprop-2-enyl(methyl)amino]-2-methylpropanoate (PubChem CID 75386746) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is methyl 2-[2-chloroprop-2-enyl(methyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[2-chloroprop-2-enyl(methyl)amino]-2-methylpropanoate
PubChem CID75386746
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Namemethyl 2-[2-chloroprop-2-enyl(methyl)amino]-2-methylpropanoate
SMILESC=C(Cl)CN(C)C(C)(C)C(=O)OC
InChIInChI=1S/C9H16ClNO2/c1-7(10)6-11(4)9(2,3)8(12)13-5/h1,6H2,2-5H3
InChIKeyAGTJKTCIVYEPGD-UHFFFAOYSA-N
XLogP1.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-[2-chloroprop-2-enyl(methyl)amino]-2-methylpropanoate 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-[2-chloroprop-2-enyl(methyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[2-chloroprop-2-enyl(methyl)amino]-2-methylpropanoate (CID 75386746) is methyl 2-[2-chloroprop-2-enyl(methyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[2-chloroprop-2-enyl(methyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[2-chloroprop-2-enyl(methyl)amino]-2-methylpropanoate is C=C(Cl)CN(C)C(C)(C)C(=O)OC.
What is the InChIKey of methyl 2-[2-chloroprop-2-enyl(methyl)amino]-2-methylpropanoate?
The InChIKey is AGTJKTCIVYEPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO2/c1-7(10)6-11(4)9(2,3)8(12)13-5/h1,6H2,2-5H3.
What are the key properties of methyl 2-[2-chloroprop-2-enyl(methyl)amino]-2-methylpropanoate?
methyl 2-[2-chloroprop-2-enyl(methyl)amino]-2-methylpropanoate has a molecular weight of 205.68 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-chloroprop-2-enyl(methyl)amino]-2-methylpropanoate is sourced from PubChem (CID 75386746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).