prop-2-enyl 2-[(2-carbamoyl-4-pyridinyl)methyl]-4-hydroxypyrrolidine-1-carboxylate

C15H19N3O4 — CID 67752206

IUPACprop-2-enyl 2-[(2-carbamoyl-4-pyridinyl)methyl]-4-hydroxypyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1CC(O)CC1Cc1ccnc(C(N)=O)c1
InChIInChI=1S/C15H19N3O4/c1-2-5-22-15(21)18-9-12(19)8-11(18)6-10-3-4-17-13(7-10)14(16)20/h2-4,7,11-12,19H,1,5-6,8-9H2,(H2,16,20)
InChIKeyLOVQDOQUWDVCEO-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.48
Rot. Bonds5

About prop-2-enyl 2-[(2-carbamoyl-4-pyridinyl)methyl]-4-hydroxypyrrolidine-1-carboxylate

prop-2-enyl 2-[(2-carbamoyl-4-pyridinyl)methyl]-4-hydroxypyrrolidine-1-carboxylate (PubChem CID 67752206) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is prop-2-enyl 2-[(2-carbamoyl-4-pyridinyl)methyl]-4-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 2-[(2-carbamoyl-4-pyridinyl)methyl]-4-hydroxypyrrolidine-1-carboxylate
PubChem CID67752206
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Nameprop-2-enyl 2-[(2-carbamoyl-4-pyridinyl)methyl]-4-hydroxypyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1CC(O)CC1Cc1ccnc(C(N)=O)c1
InChIInChI=1S/C15H19N3O4/c1-2-5-22-15(21)18-9-12(19)8-11(18)6-10-3-4-17-13(7-10)14(16)20/h2-4,7,11-12,19H,1,5-6,8-9H2,(H2,16,20)
InChIKeyLOVQDOQUWDVCEO-UHFFFAOYSA-N
XLogP0.48
TPSA105.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 4-hydroxy-2-(2-imidazol-1-ylethyl)pyrrolidine-1-carboxylate
CID 19971456
4-but-3-enylpyridine-2-carboxamide
CID 173101019
prop-2-enyl (2R,4R)-4-hydroxy-2-[(2S)-2-imidazol-1-ylpropyl]pyrrolidine-1-carboxylate
CID 56980657
prop-2-enyl (2R,4R)-2-[2-(4-carbamoylimidazol-1-yl)ethyl]-4-methylsulfonyloxypyrrolidine-1-carboxylate
CID 54497513
bis(prop-2-enyl) (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
CID 139678210
prop-2-enyl (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-[(3S,5R)-5-[(2-methyl-4-pyridinyl)methyl]-1-prop-2-enoxycarbonylpyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
CID 139716810
prop-2-enyl (2S,4S)-4-hydroxy-2-(2-sulfanylidene-3H-1,3-thiazol-4-yl)pyrrolidine-1-carboxylate
CID 139994972
prop-2-enyl (2S,4R)-4-hydroxy-2-[2-[[methyl(prop-2-enoxycarbonyl)amino]methyl]prop-2-enyl]pyrrolidine-1-carboxylate
CID 67879523
prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1-oxidopyridin-1-ium-4-yl)methyl]pyrrolidine-1-carboxylate
CID 54122586
prop-2-enyl 4-(methoxymethyl)pyridine-2-carboxylate
CID 142096604
prop-2-enyl (2S,4R)-2-(hydroxymethyl)-4-methylsulfonyloxypyrrolidine-1-carboxylate
CID 18639172
prop-2-enyl (2R,4S)-4-benzoylsulfanyl-2-[2-(2-carbamoylimidazol-1-yl)ethyl]pyrrolidine-1-carboxylate
CID 57258433

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-[(2-carbamoyl-4-pyridinyl)methyl]-4-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl 2-[(2-carbamoyl-4-pyridinyl)methyl]-4-hydroxypyrrolidine-1-carboxylate (CID 67752206) is prop-2-enyl 2-[(2-carbamoyl-4-pyridinyl)methyl]-4-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 2-[(2-carbamoyl-4-pyridinyl)methyl]-4-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl 2-[(2-carbamoyl-4-pyridinyl)methyl]-4-hydroxypyrrolidine-1-carboxylate is C=CCOC(=O)N1CC(O)CC1Cc1ccnc(C(N)=O)c1.
What is the InChIKey of prop-2-enyl 2-[(2-carbamoyl-4-pyridinyl)methyl]-4-hydroxypyrrolidine-1-carboxylate?
The InChIKey is LOVQDOQUWDVCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-2-5-22-15(21)18-9-12(19)8-11(18)6-10-3-4-17-13(7-10)14(16)20/h2-4,7,11-12,19H,1,5-6,8-9H2,(H2,16,20).
What are the key properties of prop-2-enyl 2-[(2-carbamoyl-4-pyridinyl)methyl]-4-hydroxypyrrolidine-1-carboxylate?
prop-2-enyl 2-[(2-carbamoyl-4-pyridinyl)methyl]-4-hydroxypyrrolidine-1-carboxylate has a molecular weight of 305.33 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-[(2-carbamoyl-4-pyridinyl)methyl]-4-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 67752206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).