methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-2-ylprop-2-enoate

C15H20N2O4 — CID 131748881

IUPACmethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-2-ylprop-2-enoate
SMILESCOC(=O)C(=Cc1ccccn1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H20N2O4/c1-15(2,3)21-14(19)17(4)12(13(18)20-5)10-11-8-6-7-9-16-11/h6-10H,1-5H3
InChIKeyXHJAOWPFQAJCSB-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.46
Rot. Bonds3

About methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-2-ylprop-2-enoate

methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-2-ylprop-2-enoate (PubChem CID 131748881) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-2-ylprop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-2-ylprop-2-enoate
PubChem CID131748881
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Namemethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-2-ylprop-2-enoate
SMILESCOC(=O)C(=Cc1ccccn1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H20N2O4/c1-15(2,3)21-14(19)17(4)12(13(18)20-5)10-11-8-6-7-9-16-11/h6-10H,1-5H3
InChIKeyXHJAOWPFQAJCSB-UHFFFAOYSA-N
XLogP2.46
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-2-formyl-3-pyridin-2-ylprop-2-enoate
CID 173269721
2-formyl-N-methoxy-N-methyl-3-pyridin-2-ylprop-2-enamide
CID 54365611
(2Z)-N-methoxy-N-methyl-3-oxo-2-(pyridin-2-ylmethylidene)butanamide
CID 11550424
tert-butyl N-[2-(3-pyridin-2-ylprop-2-enoylamino)ethyl]carbamate
CID 103598780
methyl 2-(4-fluorobenzoyl)-3-pyridin-2-ylprop-2-enoate
CID 54252574
methyl (E)-3-[4-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]prop-2-enoate
CID 15508375
methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dioxopropanoate
CID 102192656
(E)-2-(dimethylamino)-3-pyridin-2-ylprop-2-enal
CID 173269986
tert-butyl N-(5-methylhex-1-en-3-yl)-N-[(E)-pyridin-2-ylmethylideneamino]carbamate
CID 44607945
ethyl (E)-2-amino-3-pyridin-2-ylprop-2-enoate
CID 134275499
tert-butyl 2-cyano-3-(4-pyridin-2-ylphenyl)prop-2-enoate
CID 68751052
tert-butyl N-(2-aminoethyl)-N-pyridin-2-ylcarbamate
CID 83717032

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-2-ylprop-2-enoate?
The IUPAC name of methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-2-ylprop-2-enoate (CID 131748881) is methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-2-ylprop-2-enoate.
What is the SMILES notation for methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-2-ylprop-2-enoate?
The canonical SMILES for methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-2-ylprop-2-enoate is COC(=O)C(=Cc1ccccn1)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-2-ylprop-2-enoate?
The InChIKey is XHJAOWPFQAJCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-15(2,3)21-14(19)17(4)12(13(18)20-5)10-11-8-6-7-9-16-11/h6-10H,1-5H3.
What are the key properties of methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-2-ylprop-2-enoate?
methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-2-ylprop-2-enoate has a molecular weight of 292.34 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-2-ylprop-2-enoate is sourced from PubChem (CID 131748881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).