methyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-2-oxoacetate

C11H20N2O3 — CID 112617205

IUPACmethyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-2-oxoacetate
SMILESCOC(=O)C(=O)NCC(C)CN1CCCC1
InChIInChI=1S/C11H20N2O3/c1-9(8-13-5-3-4-6-13)7-12-10(14)11(15)16-2/h9H,3-8H2,1-2H3,(H,12,14)
InChIKeyKMFAVSRAMKEYMF-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.01
Rot. Bonds4

About methyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-2-oxoacetate

methyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-2-oxoacetate (PubChem CID 112617205) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-2-oxoacetate
PubChem CID112617205
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-2-oxoacetate
SMILESCOC(=O)C(=O)NCC(C)CN1CCCC1
InChIInChI=1S/C11H20N2O3/c1-9(8-13-5-3-4-6-13)7-12-10(14)11(15)16-2/h9H,3-8H2,1-2H3,(H,12,14)
InChIKeyKMFAVSRAMKEYMF-UHFFFAOYSA-N
XLogP0.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-2-oxoacetate 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-methyl-3-pyrrolidin-1-ylpropyl)amino]-2-oxoacetate?
The IUPAC name of methyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-2-oxoacetate (CID 112617205) is methyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-2-oxoacetate?
The canonical SMILES for methyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-2-oxoacetate is COC(=O)C(=O)NCC(C)CN1CCCC1.
What is the InChIKey of methyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-2-oxoacetate?
The InChIKey is KMFAVSRAMKEYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-9(8-13-5-3-4-6-13)7-12-10(14)11(15)16-2/h9H,3-8H2,1-2H3,(H,12,14).
What are the key properties of methyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-2-oxoacetate?
methyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-2-oxoacetate has a molecular weight of 228.29 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-2-oxoacetate is sourced from PubChem (CID 112617205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).