5-methoxy-1-(1-methoxy-2-methylpropan-2-yl)-4-oxopyridine-2-carboxylic acid

C12H17NO5 — CID 114201597

IUPAC5-methoxy-1-(1-methoxy-2-methylpropan-2-yl)-4-oxopyridine-2-carboxylic acid
SMILESCOCC(C)(C)n1cc(OC)c(=O)cc1C(=O)O
InChIInChI=1S/C12H17NO5/c1-12(2,7-17-3)13-6-10(18-4)9(14)5-8(13)11(15)16/h5-6H,7H2,1-4H3,(H,15,16)
InChIKeyDTCPOYUHUQARKS-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.94
Rot. Bonds5

About 5-methoxy-1-(1-methoxy-2-methylpropan-2-yl)-4-oxopyridine-2-carboxylic acid

5-methoxy-1-(1-methoxy-2-methylpropan-2-yl)-4-oxopyridine-2-carboxylic acid (PubChem CID 114201597) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is 5-methoxy-1-(1-methoxy-2-methylpropan-2-yl)-4-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-1-(1-methoxy-2-methylpropan-2-yl)-4-oxopyridine-2-carboxylic acid
PubChem CID114201597
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Name5-methoxy-1-(1-methoxy-2-methylpropan-2-yl)-4-oxopyridine-2-carboxylic acid
SMILESCOCC(C)(C)n1cc(OC)c(=O)cc1C(=O)O
InChIInChI=1S/C12H17NO5/c1-12(2,7-17-3)13-6-10(18-4)9(14)5-8(13)11(15)16/h5-6H,7H2,1-4H3,(H,15,16)
InChIKeyDTCPOYUHUQARKS-UHFFFAOYSA-N
XLogP0.94
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-amino-2-methyl-1-oxopropan-2-yl)-5-methoxy-4-oxopyridine-2-carboxylic acid
CID 114201547
1-(4-hydroxycyclohexyl)-5-methoxy-4-oxopyridine-2-carboxylic acid
CID 114201623
5-methoxy-1-(2-methylpentan-3-yl)-4-oxopyridine-2-carboxylic acid
CID 114201516
5-methoxy-4-oxo-1-(3-sulfamoylpropyl)pyridine-2-carboxylic acid
CID 114201546
1-(3-bromophenyl)-5-methoxy-4-oxopyridine-2-carboxylic acid
CID 114201468
1,5-bis[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carboxylic acid
CID 70812490
5-chloro-1-(2-hydroxyethyl)-8-methoxy-4-oxoquinoline-2-carboxylic acid
CID 82251962
6-methoxy-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid
CID 102239387
10-methoxy-9-[1-(1-methoxy-2-methylpropan-2-yl)pyrazol-4-yl]-2-oxo-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid
CID 146440026
1-(1-methoxy-2-methylpropan-2-yl)benzotriazole-5-carboxylic acid
CID 113470525
N-[(4-fluorophenyl)methyl]-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide
CID 53369192
4-(ethylamino)-3,5-dimethoxybenzoic acid
CID 21280955

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(1-methoxy-2-methylpropan-2-yl)-4-oxopyridine-2-carboxylic acid?
The IUPAC name of 5-methoxy-1-(1-methoxy-2-methylpropan-2-yl)-4-oxopyridine-2-carboxylic acid (CID 114201597) is 5-methoxy-1-(1-methoxy-2-methylpropan-2-yl)-4-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 5-methoxy-1-(1-methoxy-2-methylpropan-2-yl)-4-oxopyridine-2-carboxylic acid?
The canonical SMILES for 5-methoxy-1-(1-methoxy-2-methylpropan-2-yl)-4-oxopyridine-2-carboxylic acid is COCC(C)(C)n1cc(OC)c(=O)cc1C(=O)O.
What is the InChIKey of 5-methoxy-1-(1-methoxy-2-methylpropan-2-yl)-4-oxopyridine-2-carboxylic acid?
The InChIKey is DTCPOYUHUQARKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c1-12(2,7-17-3)13-6-10(18-4)9(14)5-8(13)11(15)16/h5-6H,7H2,1-4H3,(H,15,16).
What are the key properties of 5-methoxy-1-(1-methoxy-2-methylpropan-2-yl)-4-oxopyridine-2-carboxylic acid?
5-methoxy-1-(1-methoxy-2-methylpropan-2-yl)-4-oxopyridine-2-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(1-methoxy-2-methylpropan-2-yl)-4-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 114201597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).