methyl 2-[cyclopropyl(methyl)amino]-2-(1-methylpyrrolidin-3-yl)acetate

C12H22N2O2 — CID 116857447

IUPACmethyl 2-[cyclopropyl(methyl)amino]-2-(1-methylpyrrolidin-3-yl)acetate
SMILESCOC(=O)C(C1CCN(C)C1)N(C)C1CC1
InChIInChI=1S/C12H22N2O2/c1-13-7-6-9(8-13)11(12(15)16-3)14(2)10-4-5-10/h9-11H,4-8H2,1-3H3
InChIKeyJXPBMHDCPLPQTF-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.57
Rot. Bonds4

About methyl 2-[cyclopropyl(methyl)amino]-2-(1-methylpyrrolidin-3-yl)acetate

methyl 2-[cyclopropyl(methyl)amino]-2-(1-methylpyrrolidin-3-yl)acetate (PubChem CID 116857447) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is methyl 2-[cyclopropyl(methyl)amino]-2-(1-methylpyrrolidin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopropyl(methyl)amino]-2-(1-methylpyrrolidin-3-yl)acetate
PubChem CID116857447
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Namemethyl 2-[cyclopropyl(methyl)amino]-2-(1-methylpyrrolidin-3-yl)acetate
SMILESCOC(=O)C(C1CCN(C)C1)N(C)C1CC1
InChIInChI=1S/C12H22N2O2/c1-13-7-6-9(8-13)11(12(15)16-3)14(2)10-4-5-10/h9-11H,4-8H2,1-3H3
InChIKeyJXPBMHDCPLPQTF-UHFFFAOYSA-N
XLogP0.57
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[cyclopropyl(methyl)amino]-2-(1-methylpyrrolidin-3-yl)acetate 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

methyl 2-[dimethylamino-(1-methylpyrrolidin-3-yl)methyl]-3-methylbutanoate
CID 116913656
methyl 2-(1-methylpyrrolidin-3-yl)-2-piperidin-4-ylacetate
CID 116825136
methyl 2-[amino-(1-methylpyrrolidin-3-yl)methyl]-3-methylbutanoate
CID 116946118
3-amino-N,N-dimethyl-3-(1-methylpyrrolidin-3-yl)propanamide
CID 116850366
methyl 3-(cyclopropylamino)-2-(1-methylpyrrolidin-3-yl)propanoate
CID 117238066
methyl 2-[dimethylamino-(1-methylpiperidin-4-yl)methyl]butanoate
CID 116913623
methyl 2-amino-3-(1-methylpiperidin-4-yl)propanoate
CID 83854817
methyl 2-amino-3-fluoro-3-(1-methylpiperidin-4-yl)propanoate
CID 105472579
3-amino-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide
CID 116850731
(R)-methoxy-[(3R)-1-methylpyrrolidin-3-yl]methanol
CID 140507743
methyl 2-methyl-3-(1-methylpyrrolidin-3-yl)propanoate
CID 83980575
methyl 2-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]propanoate
CID 62545953

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopropyl(methyl)amino]-2-(1-methylpyrrolidin-3-yl)acetate?
The IUPAC name of methyl 2-[cyclopropyl(methyl)amino]-2-(1-methylpyrrolidin-3-yl)acetate (CID 116857447) is methyl 2-[cyclopropyl(methyl)amino]-2-(1-methylpyrrolidin-3-yl)acetate.
What is the SMILES notation for methyl 2-[cyclopropyl(methyl)amino]-2-(1-methylpyrrolidin-3-yl)acetate?
The canonical SMILES for methyl 2-[cyclopropyl(methyl)amino]-2-(1-methylpyrrolidin-3-yl)acetate is COC(=O)C(C1CCN(C)C1)N(C)C1CC1.
What is the InChIKey of methyl 2-[cyclopropyl(methyl)amino]-2-(1-methylpyrrolidin-3-yl)acetate?
The InChIKey is JXPBMHDCPLPQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-13-7-6-9(8-13)11(12(15)16-3)14(2)10-4-5-10/h9-11H,4-8H2,1-3H3.
What are the key properties of methyl 2-[cyclopropyl(methyl)amino]-2-(1-methylpyrrolidin-3-yl)acetate?
methyl 2-[cyclopropyl(methyl)amino]-2-(1-methylpyrrolidin-3-yl)acetate has a molecular weight of 226.32 g/mol, XLogP of 0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopropyl(methyl)amino]-2-(1-methylpyrrolidin-3-yl)acetate is sourced from PubChem (CID 116857447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).