methyl 4-(1-methoxy-2-methyl-1-oxopropan-2-yl)-4H-pyridine-1-carboxylate

C12H17NO4 — CID 11673140

IUPACmethyl 4-(1-methoxy-2-methyl-1-oxopropan-2-yl)-4H-pyridine-1-carboxylate
SMILESCOC(=O)N1C=CC(C(C)(C)C(=O)OC)C=C1
InChIInChI=1S/C12H17NO4/c1-12(2,10(14)16-3)9-5-7-13(8-6-9)11(15)17-4/h5-9H,1-4H3
InChIKeyBTBPMTYAUFRZEP-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.91
Rot. Bonds2

About methyl 4-(1-methoxy-2-methyl-1-oxopropan-2-yl)-4H-pyridine-1-carboxylate

methyl 4-(1-methoxy-2-methyl-1-oxopropan-2-yl)-4H-pyridine-1-carboxylate (PubChem CID 11673140) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl 4-(1-methoxy-2-methyl-1-oxopropan-2-yl)-4H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1-methoxy-2-methyl-1-oxopropan-2-yl)-4H-pyridine-1-carboxylate
PubChem CID11673140
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Namemethyl 4-(1-methoxy-2-methyl-1-oxopropan-2-yl)-4H-pyridine-1-carboxylate
SMILESCOC(=O)N1C=CC(C(C)(C)C(=O)OC)C=C1
InChIInChI=1S/C12H17NO4/c1-12(2,10(14)16-3)9-5-7-13(8-6-9)11(15)17-4/h5-9H,1-4H3
InChIKeyBTBPMTYAUFRZEP-UHFFFAOYSA-N
XLogP1.91
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(1-methoxy-1-oxopropan-2-yl)-4H-pyridine-1-carboxylate
CID 13122726
2-(1-methoxycarbonyl-4H-pyridin-4-yl)-2-methylpropanoic acid
CID 15525620
4-t-Butyl-1,4-dihydro-1-ethyl-4-methoxycarbonylpyridine
CID 129853094
2-(3-fluoro-1-methoxycarbonyl-4H-pyridin-4-yl)-2-methylpropanoic acid
CID 101482130
methyl 4-(2-ethoxy-2-oxoethyl)-4H-pyridine-1-carboxylate
CID 14918496
dimethyl 2-[(E)-2-[acetyl(methyl)amino]ethenyl]butanedioate
CID 16065522
2-(1-methoxycarbonyl-4H-pyridin-4-yl)-3-methylbutanoic acid
CID 11536029
2-(1-methoxycarbonyl-4H-pyridin-4-yl)butanoic acid
CID 11550352
2-(1-methoxycarbonyl-2-methyl-4H-pyridin-4-yl)-2-methylpropanoic acid
CID 11579588
2-(1-methoxycarbonyl-4H-pyridin-4-yl)acetic acid
CID 11593610
2-(1-methoxycarbonyl-4H-pyridin-4-yl)pent-4-enoic acid
CID 11615618
2-(1-methoxycarbonyl-3-methyl-4H-pyridin-4-yl)-2-methylpropanoic acid
CID 11630077

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-methoxy-2-methyl-1-oxopropan-2-yl)-4H-pyridine-1-carboxylate?
The IUPAC name of methyl 4-(1-methoxy-2-methyl-1-oxopropan-2-yl)-4H-pyridine-1-carboxylate (CID 11673140) is methyl 4-(1-methoxy-2-methyl-1-oxopropan-2-yl)-4H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 4-(1-methoxy-2-methyl-1-oxopropan-2-yl)-4H-pyridine-1-carboxylate?
The canonical SMILES for methyl 4-(1-methoxy-2-methyl-1-oxopropan-2-yl)-4H-pyridine-1-carboxylate is COC(=O)N1C=CC(C(C)(C)C(=O)OC)C=C1.
What is the InChIKey of methyl 4-(1-methoxy-2-methyl-1-oxopropan-2-yl)-4H-pyridine-1-carboxylate?
The InChIKey is BTBPMTYAUFRZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-12(2,10(14)16-3)9-5-7-13(8-6-9)11(15)17-4/h5-9H,1-4H3.
What are the key properties of methyl 4-(1-methoxy-2-methyl-1-oxopropan-2-yl)-4H-pyridine-1-carboxylate?
methyl 4-(1-methoxy-2-methyl-1-oxopropan-2-yl)-4H-pyridine-1-carboxylate has a molecular weight of 239.27 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-methoxy-2-methyl-1-oxopropan-2-yl)-4H-pyridine-1-carboxylate is sourced from PubChem (CID 11673140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).