prop-2-ynyl 2-aminopyrrolidine-1-carboxylate

C8H12N2O2 — CID 175511332

IUPACprop-2-ynyl 2-aminopyrrolidine-1-carboxylate
SMILESC#CCOC(=O)N1CCCC1N
InChIInChI=1S/C8H12N2O2/c1-2-6-12-8(11)10-5-3-4-7(10)9/h1,7H,3-6,9H2
InChIKeyAIOAQKGILWKJAR-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.14
Rot. Bonds1

About prop-2-ynyl 2-aminopyrrolidine-1-carboxylate

prop-2-ynyl 2-aminopyrrolidine-1-carboxylate (PubChem CID 175511332) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is prop-2-ynyl 2-aminopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-ynyl 2-aminopyrrolidine-1-carboxylate
PubChem CID175511332
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Nameprop-2-ynyl 2-aminopyrrolidine-1-carboxylate
SMILESC#CCOC(=O)N1CCCC1N
InChIInChI=1S/C8H12N2O2/c1-2-6-12-8(11)10-5-3-4-7(10)9/h1,7H,3-6,9H2
InChIKeyAIOAQKGILWKJAR-UHFFFAOYSA-N
XLogP0.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze prop-2-ynyl 2-aminopyrrolidine-1-carboxylate 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

bis(prop-2-ynyl) pyrrolidine-1,2-dicarboxylate
CID 91721202
2-O-(2,3,4,5,6-pentafluorophenyl) 1-O-prop-2-ynyl (2S)-pyrrolidine-1,2-dicarboxylate
CID 102183482
2-pyrrolidin-1-ylethyl 2-aminopiperidine-1-carboxylate
CID 69190855
2-O-pentyl 1-O-prop-2-ynyl piperidine-1,2-dicarboxylate
CID 91724311
pentyl 1-(1-prop-2-ynoxycarbonylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylate
CID 91721216
2-O-decyl 1-O-prop-2-ynyl piperidine-1,2-dicarboxylate
CID 91724315
1-O-prop-2-ynyl 2-O-undecyl piperidine-1,2-dicarboxylate
CID 91724316
1-(2-aminopyrrolidin-1-yl)butan-1-one
CID 138613238
2-amino-N-[2-(hydroxyamino)-2-oxoethyl]pyrrolidine-1-carboxamide
CID 87991804
tert-butyl (2R)-2-aminoazetidine-1-carboxylate
CID 25417768
ethyl 2-diethoxyphosphorylpiperidine-1-carboxylate
CID 20676716
tert-butyl (2R)-2-ethynylpyrrolidine-1-carboxylate
CID 10262067

Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl 2-aminopyrrolidine-1-carboxylate?
The IUPAC name of prop-2-ynyl 2-aminopyrrolidine-1-carboxylate (CID 175511332) is prop-2-ynyl 2-aminopyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-ynyl 2-aminopyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-ynyl 2-aminopyrrolidine-1-carboxylate is C#CCOC(=O)N1CCCC1N.
What is the InChIKey of prop-2-ynyl 2-aminopyrrolidine-1-carboxylate?
The InChIKey is AIOAQKGILWKJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-2-6-12-8(11)10-5-3-4-7(10)9/h1,7H,3-6,9H2.
What are the key properties of prop-2-ynyl 2-aminopyrrolidine-1-carboxylate?
prop-2-ynyl 2-aminopyrrolidine-1-carboxylate has a molecular weight of 168.20 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl 2-aminopyrrolidine-1-carboxylate is sourced from PubChem (CID 175511332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).