methyl 2-[(5S)-3-ethenyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-4-[(Z)-prop-1-enyl]-2,5-dihydropyridin-1-yl]propanoate

C19H28N2O5 — CID 143573180

IUPACmethyl 2-[(5S)-3-ethenyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-4-[(Z)-prop-1-enyl]-2,5-dihydropyridin-1-yl]propanoate
SMILESC=CC1=C(/C=C\C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C(C)C(=O)OC)C1
InChIInChI=1S/C19H28N2O5/c1-8-10-14-13(9-2)11-21(12(3)17(23)25-7)16(22)15(14)20-18(24)26-19(4,5)6/h8-10,12,15H,2,11H2,1,3-7H3,(H,20,24)/b10-8-/t12?,15-/m0/s1
InChIKeyZSOYTJCKVFMLLD-AZTGGFQYSA-N
MW364.44 g/mol
LogP2.34
Rot. Bonds5

About methyl 2-[(5S)-3-ethenyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-4-[(Z)-prop-1-enyl]-2,5-dihydropyridin-1-yl]propanoate

methyl 2-[(5S)-3-ethenyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-4-[(Z)-prop-1-enyl]-2,5-dihydropyridin-1-yl]propanoate (PubChem CID 143573180) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is methyl 2-[(5S)-3-ethenyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-4-[(Z)-prop-1-enyl]-2,5-dihydropyridin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-[(5S)-3-ethenyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-4-[(Z)-prop-1-enyl]-2,5-dihydropyridin-1-yl]propanoate
PubChem CID143573180
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Namemethyl 2-[(5S)-3-ethenyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-4-[(Z)-prop-1-enyl]-2,5-dihydropyridin-1-yl]propanoate
SMILESC=CC1=C(/C=C\C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C(C)C(=O)OC)C1
InChIInChI=1S/C19H28N2O5/c1-8-10-14-13(9-2)11-21(12(3)17(23)25-7)16(22)15(14)20-18(24)26-19(4,5)6/h8-10,12,15H,2,11H2,1,3-7H3,(H,20,24)/b10-8-/t12?,15-/m0/s1
InChIKeyZSOYTJCKVFMLLD-AZTGGFQYSA-N
XLogP2.34
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(5S)-3-ethenyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-4-[(Z)-prop-1-enyl]-2,5-dihydropyridin-1-yl]propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5S)-3-ethenyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-4-[(Z)-prop-1-enyl]-2,5-dihydropyridin-1-yl]propanoate?
The IUPAC name of methyl 2-[(5S)-3-ethenyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-4-[(Z)-prop-1-enyl]-2,5-dihydropyridin-1-yl]propanoate (CID 143573180) is methyl 2-[(5S)-3-ethenyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-4-[(Z)-prop-1-enyl]-2,5-dihydropyridin-1-yl]propanoate.
What is the SMILES notation for methyl 2-[(5S)-3-ethenyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-4-[(Z)-prop-1-enyl]-2,5-dihydropyridin-1-yl]propanoate?
The canonical SMILES for methyl 2-[(5S)-3-ethenyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-4-[(Z)-prop-1-enyl]-2,5-dihydropyridin-1-yl]propanoate is C=CC1=C(/C=C\C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C(C)C(=O)OC)C1.
What is the InChIKey of methyl 2-[(5S)-3-ethenyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-4-[(Z)-prop-1-enyl]-2,5-dihydropyridin-1-yl]propanoate?
The InChIKey is ZSOYTJCKVFMLLD-AZTGGFQYSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-8-10-14-13(9-2)11-21(12(3)17(23)25-7)16(22)15(14)20-18(24)26-19(4,5)6/h8-10,12,15H,2,11H2,1,3-7H3,(H,20,24)/b10-8-/t12?,15-/m0/s1.
What are the key properties of methyl 2-[(5S)-3-ethenyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-4-[(Z)-prop-1-enyl]-2,5-dihydropyridin-1-yl]propanoate?
methyl 2-[(5S)-3-ethenyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-4-[(Z)-prop-1-enyl]-2,5-dihydropyridin-1-yl]propanoate has a molecular weight of 364.44 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5S)-3-ethenyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-4-[(Z)-prop-1-enyl]-2,5-dihydropyridin-1-yl]propanoate is sourced from PubChem (CID 143573180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).