prop-2-enyl (2S,4R)-4-hydroxy-2-[2-[[methyl(prop-2-enoxycarbonyl)amino]methyl]prop-2-enyl]pyrrolidine-1-carboxylate

C17H26N2O5 — CID 67879523

IUPACprop-2-enyl (2S,4R)-4-hydroxy-2-[2-[[methyl(prop-2-enoxycarbonyl)amino]methyl]prop-2-enyl]pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N(C)CC(=C)C[C@H]1C[C@@H](O)CN1C(=O)OCC=C
InChIInChI=1S/C17H26N2O5/c1-5-7-23-16(21)18(4)11-13(3)9-14-10-15(20)12-19(14)17(22)24-8-6-2/h5-6,14-15,20H,1-3,7-12H2,4H3/t14-,15+/m0/s1
InChIKeyYFDNUCPPIORSPE-LSDHHAIUSA-N
MW338.40 g/mol
LogP1.94
Rot. Bonds8

About prop-2-enyl (2S,4R)-4-hydroxy-2-[2-[[methyl(prop-2-enoxycarbonyl)amino]methyl]prop-2-enyl]pyrrolidine-1-carboxylate

prop-2-enyl (2S,4R)-4-hydroxy-2-[2-[[methyl(prop-2-enoxycarbonyl)amino]methyl]prop-2-enyl]pyrrolidine-1-carboxylate (PubChem CID 67879523) has the molecular formula C17H26N2O5 and a molecular weight of 338.40 g/mol. Its IUPAC name is prop-2-enyl (2S,4R)-4-hydroxy-2-[2-[[methyl(prop-2-enoxycarbonyl)amino]methyl]prop-2-enyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (2S,4R)-4-hydroxy-2-[2-[[methyl(prop-2-enoxycarbonyl)amino]methyl]prop-2-enyl]pyrrolidine-1-carboxylate
PubChem CID67879523
Molecular FormulaC17H26N2O5
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Nameprop-2-enyl (2S,4R)-4-hydroxy-2-[2-[[methyl(prop-2-enoxycarbonyl)amino]methyl]prop-2-enyl]pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N(C)CC(=C)C[C@H]1C[C@@H](O)CN1C(=O)OCC=C
InChIInChI=1S/C17H26N2O5/c1-5-7-23-16(21)18(4)11-13(3)9-14-10-15(20)12-19(14)17(22)24-8-6-2/h5-6,14-15,20H,1-3,7-12H2,4H3/t14-,15+/m0/s1
InChIKeyYFDNUCPPIORSPE-LSDHHAIUSA-N
XLogP1.94
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(prop-2-enyl) (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
CID 139678210
prop-2-enyl (2R,4R)-4-hydroxy-2-[(2S)-2-imidazol-1-ylpropyl]pyrrolidine-1-carboxylate
CID 56980657
prop-2-enyl 4-hydroxy-2-(2-imidazol-1-ylethyl)pyrrolidine-1-carboxylate
CID 19971456
prop-2-enyl (2S,4R)-2-(hydroxymethyl)-4-methylsulfonyloxypyrrolidine-1-carboxylate
CID 18639172
prop-2-enyl 2-[(2-carbamoyl-4-pyridinyl)methyl]-4-hydroxypyrrolidine-1-carboxylate
CID 67752206
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pent-4-en-1-one
CID 66051985
tert-butyl (2S,4R)-2-(2-amino-2-oxoethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 69415666
1-O-tert-butyl 2-O-prop-2-enyl (4S)-4-hydroxypyrrolidine-1,2-dicarboxylate
CID 59123157
ethane;prop-2-enyl N-ethyl-N-methylcarbamate
CID 142891984
methyl (2R,4S)-4-hydroxy-2-propylpyrrolidine-1-carboxylate
CID 162342085
prop-2-enyl N-methyl-N-(oxiran-2-ylmethyl)carbamate
CID 59768322
prop-2-enyl (2R,4S)-2-[(2Z)-2-hydroxyimino-2-(methylcarbamoylamino)ethyl]-4-sulfanylpyrrolidine-1-carboxylate
CID 135442283

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2S,4R)-4-hydroxy-2-[2-[[methyl(prop-2-enoxycarbonyl)amino]methyl]prop-2-enyl]pyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl (2S,4R)-4-hydroxy-2-[2-[[methyl(prop-2-enoxycarbonyl)amino]methyl]prop-2-enyl]pyrrolidine-1-carboxylate (CID 67879523) is prop-2-enyl (2S,4R)-4-hydroxy-2-[2-[[methyl(prop-2-enoxycarbonyl)amino]methyl]prop-2-enyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl (2S,4R)-4-hydroxy-2-[2-[[methyl(prop-2-enoxycarbonyl)amino]methyl]prop-2-enyl]pyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl (2S,4R)-4-hydroxy-2-[2-[[methyl(prop-2-enoxycarbonyl)amino]methyl]prop-2-enyl]pyrrolidine-1-carboxylate is C=CCOC(=O)N(C)CC(=C)C[C@H]1C[C@@H](O)CN1C(=O)OCC=C.
What is the InChIKey of prop-2-enyl (2S,4R)-4-hydroxy-2-[2-[[methyl(prop-2-enoxycarbonyl)amino]methyl]prop-2-enyl]pyrrolidine-1-carboxylate?
The InChIKey is YFDNUCPPIORSPE-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H26N2O5/c1-5-7-23-16(21)18(4)11-13(3)9-14-10-15(20)12-19(14)17(22)24-8-6-2/h5-6,14-15,20H,1-3,7-12H2,4H3/t14-,15+/m0/s1.
What are the key properties of prop-2-enyl (2S,4R)-4-hydroxy-2-[2-[[methyl(prop-2-enoxycarbonyl)amino]methyl]prop-2-enyl]pyrrolidine-1-carboxylate?
prop-2-enyl (2S,4R)-4-hydroxy-2-[2-[[methyl(prop-2-enoxycarbonyl)amino]methyl]prop-2-enyl]pyrrolidine-1-carboxylate has a molecular weight of 338.40 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2S,4R)-4-hydroxy-2-[2-[[methyl(prop-2-enoxycarbonyl)amino]methyl]prop-2-enyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 67879523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).