methyl 1-methyl-3-(prop-2-ynylamino)pyrrolidine-3-carboxylate

C10H16N2O2 — CID 62977159

IUPACmethyl 1-methyl-3-(prop-2-ynylamino)pyrrolidine-3-carboxylate
SMILESC#CCNC1(C(=O)OC)CCN(C)C1
InChIInChI=1S/C10H16N2O2/c1-4-6-11-10(9(13)14-3)5-7-12(2)8-10/h1,11H,5-8H2,2-3H3
InChIKeyRBBQJNRPQHKACO-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.54
Rot. Bonds3

About methyl 1-methyl-3-(prop-2-ynylamino)pyrrolidine-3-carboxylate

methyl 1-methyl-3-(prop-2-ynylamino)pyrrolidine-3-carboxylate (PubChem CID 62977159) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is methyl 1-methyl-3-(prop-2-ynylamino)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-3-(prop-2-ynylamino)pyrrolidine-3-carboxylate
PubChem CID62977159
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Namemethyl 1-methyl-3-(prop-2-ynylamino)pyrrolidine-3-carboxylate
SMILESC#CCNC1(C(=O)OC)CCN(C)C1
InChIInChI=1S/C10H16N2O2/c1-4-6-11-10(9(13)14-3)5-7-12(2)8-10/h1,11H,5-8H2,2-3H3
InChIKeyRBBQJNRPQHKACO-UHFFFAOYSA-N
XLogP-0.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 1-methyl-3-(prop-2-ynylamino)pyrrolidine-3-carboxylate 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 1-methyl-3-(prop-2-ynylamino)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-methyl-3-(prop-2-ynylamino)pyrrolidine-3-carboxylate (CID 62977159) is methyl 1-methyl-3-(prop-2-ynylamino)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-methyl-3-(prop-2-ynylamino)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-methyl-3-(prop-2-ynylamino)pyrrolidine-3-carboxylate is C#CCNC1(C(=O)OC)CCN(C)C1.
What is the InChIKey of methyl 1-methyl-3-(prop-2-ynylamino)pyrrolidine-3-carboxylate?
The InChIKey is RBBQJNRPQHKACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-6-11-10(9(13)14-3)5-7-12(2)8-10/h1,11H,5-8H2,2-3H3.
What are the key properties of methyl 1-methyl-3-(prop-2-ynylamino)pyrrolidine-3-carboxylate?
methyl 1-methyl-3-(prop-2-ynylamino)pyrrolidine-3-carboxylate has a molecular weight of 196.25 g/mol, XLogP of -0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-3-(prop-2-ynylamino)pyrrolidine-3-carboxylate is sourced from PubChem (CID 62977159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).