tert-butyl 2-(2-methoxycarbonylprop-2-enyl)pyrrolidine-1-carboxylate

C14H23NO4 — CID 164687099

IUPACtert-butyl 2-(2-methoxycarbonylprop-2-enyl)pyrrolidine-1-carboxylate
SMILESC=C(CC1CCCN1C(=O)OC(C)(C)C)C(=O)OC
InChIInChI=1S/C14H23NO4/c1-10(12(16)18-5)9-11-7-6-8-15(11)13(17)19-14(2,3)4/h11H,1,6-9H2,2-5H3
InChIKeyOVQYEGKWJHPGGE-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.51
Rot. Bonds3

About tert-butyl 2-(2-methoxycarbonylprop-2-enyl)pyrrolidine-1-carboxylate

tert-butyl 2-(2-methoxycarbonylprop-2-enyl)pyrrolidine-1-carboxylate (PubChem CID 164687099) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is tert-butyl 2-(2-methoxycarbonylprop-2-enyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-methoxycarbonylprop-2-enyl)pyrrolidine-1-carboxylate
PubChem CID164687099
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Nametert-butyl 2-(2-methoxycarbonylprop-2-enyl)pyrrolidine-1-carboxylate
SMILESC=C(CC1CCCN1C(=O)OC(C)(C)C)C(=O)OC
InChIInChI=1S/C14H23NO4/c1-10(12(16)18-5)9-11-7-6-8-15(11)13(17)19-14(2,3)4/h11H,1,6-9H2,2-5H3
InChIKeyOVQYEGKWJHPGGE-UHFFFAOYSA-N
XLogP2.51
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze tert-butyl 2-(2-methoxycarbonylprop-2-enyl)pyrrolidine-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

2-{[(2S)-1-[(tert-butoxy)carbonyl]pyrrolidin-2-yl]methyl}prop-2-enoic acid
CID 167721496
tert-butyl (2S)-4,4-difluoro-2-(3-methoxy-3-oxoprop-1-en-2-yl)pyrrolidine-1-carboxylate
CID 132078082
Tert-butyl 2-(2-ethoxycarbonylprop-2-enyl)pyrrolidine-1-carboxylate
CID 166446541
Tert-butyl 2-(3-ethoxy-3-oxoprop-1-en-2-yl)pyrrolidine-1-carboxylate
CID 19978624
8-O-Tert-butyl 3-O-methyl 8-azabicyclo[3.2.1]oct-2-ene-3,8-dicarboxylate
CID 21132365
(3R)-2-methylidene-3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]butanoic acid
CID 147793948
tert-butyl (2R)-2-(3-ethoxy-3-oxoprop-1-en-2-yl)pyrrolidine-1-carboxylate
CID 164901038
tert-butyl (2S)-2-[(3R)-5-methoxy-5-oxopent-1-en-3-yl]pyrrolidine-1-carboxylate
CID 11781036
tert-butyl (2S)-2-(1-acetyloxy-2-methoxycarbonylprop-2-enyl)pyrrolidine-1-carboxylate
CID 49818188
tert-butyl (2S)-2-(1-methoxy-2-methoxycarbonylprop-2-enyl)pyrrolidine-1-carboxylate
CID 49818618
Methyl 2-[(1-methylpyrrolidin-2-yl)methyl]prop-2-enoate
CID 117266937
Methyl 2-[(1-ethylpyrrolidin-2-yl)methyl]prop-2-enoate
CID 117266940

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-methoxycarbonylprop-2-enyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-methoxycarbonylprop-2-enyl)pyrrolidine-1-carboxylate (CID 164687099) is tert-butyl 2-(2-methoxycarbonylprop-2-enyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-methoxycarbonylprop-2-enyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-methoxycarbonylprop-2-enyl)pyrrolidine-1-carboxylate is C=C(CC1CCCN1C(=O)OC(C)(C)C)C(=O)OC.
What is the InChIKey of tert-butyl 2-(2-methoxycarbonylprop-2-enyl)pyrrolidine-1-carboxylate?
The InChIKey is OVQYEGKWJHPGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-10(12(16)18-5)9-11-7-6-8-15(11)13(17)19-14(2,3)4/h11H,1,6-9H2,2-5H3.
What are the key properties of tert-butyl 2-(2-methoxycarbonylprop-2-enyl)pyrrolidine-1-carboxylate?
tert-butyl 2-(2-methoxycarbonylprop-2-enyl)pyrrolidine-1-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-methoxycarbonylprop-2-enyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 164687099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).