methyl 3-[azetidin-3-yl(methyl)amino]-2,2-dimethylpropanoate

C10H20N2O2 — CID 79619984

IUPACmethyl 3-[azetidin-3-yl(methyl)amino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN(C)C1CNC1
InChIInChI=1S/C10H20N2O2/c1-10(2,9(13)14-4)7-12(3)8-5-11-6-8/h8,11H,5-7H2,1-4H3
InChIKeyQSFHOQPLBLDDIO-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.09
Rot. Bonds4

About methyl 3-[azetidin-3-yl(methyl)amino]-2,2-dimethylpropanoate

methyl 3-[azetidin-3-yl(methyl)amino]-2,2-dimethylpropanoate (PubChem CID 79619984) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl 3-[azetidin-3-yl(methyl)amino]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[azetidin-3-yl(methyl)amino]-2,2-dimethylpropanoate
PubChem CID79619984
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namemethyl 3-[azetidin-3-yl(methyl)amino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN(C)C1CNC1
InChIInChI=1S/C10H20N2O2/c1-10(2,9(13)14-4)7-12(3)8-5-11-6-8/h8,11H,5-7H2,1-4H3
InChIKeyQSFHOQPLBLDDIO-UHFFFAOYSA-N
XLogP0.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[azetidin-3-yl(methyl)amino]-2,2-dimethylpropanoate with MolForge

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

Launch Full Analysis

Related Compounds

(2,2,2-Trifluoroacetyl) 3-(3-aminoazetidin-1-yl)-2,2-dimethylpropanoate
CID 138689719
Methyl 3-(isopropylamino)-2,2-dimethylpropanoate
CID 13049572
Methyl 3-[2-(dimethylamino)ethylamino]propanoate
CID 43242710
Methyl 3-(1-aminopropan-2-ylamino)propanoate
CID 53686455
Methyl 3-(1-aminopropan-2-ylamino)-2-methylpropanoate
CID 53912682
Methyl 3-(2-aminopropylamino)propanoate
CID 54201167
Methyl 3-(2-aminopropylamino)-2-methylpropanoate
CID 54314938
Methyl 3-(3-aminoazetidin-1-yl)propanoate
CID 65249600
3-(3-Aminoazetidin-1-yl)-2,2-dimethylpropanoic acid
CID 79619982
Methyl 3-[bis(2-aminopropyl)amino]propanoate
CID 90207605
Methyl 3-[1-[bis(3-methoxy-3-oxopropyl)amino]propan-2-ylamino]propanoate
CID 90207626
Methyl 3-[2-[bis(3-methoxy-3-oxopropyl)amino]propylamino]propanoate
CID 90207627

Frequently Asked Questions

What is the IUPAC name of methyl 3-[azetidin-3-yl(methyl)amino]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[azetidin-3-yl(methyl)amino]-2,2-dimethylpropanoate (CID 79619984) is methyl 3-[azetidin-3-yl(methyl)amino]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[azetidin-3-yl(methyl)amino]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[azetidin-3-yl(methyl)amino]-2,2-dimethylpropanoate is COC(=O)C(C)(C)CN(C)C1CNC1.
What is the InChIKey of methyl 3-[azetidin-3-yl(methyl)amino]-2,2-dimethylpropanoate?
The InChIKey is QSFHOQPLBLDDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,9(13)14-4)7-12(3)8-5-11-6-8/h8,11H,5-7H2,1-4H3.
What are the key properties of methyl 3-[azetidin-3-yl(methyl)amino]-2,2-dimethylpropanoate?
methyl 3-[azetidin-3-yl(methyl)amino]-2,2-dimethylpropanoate has a molecular weight of 200.28 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[azetidin-3-yl(methyl)amino]-2,2-dimethylpropanoate is sourced from PubChem (CID 79619984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).