1-(1-amino-2-methyl-1-oxopropan-2-yl)-5-methoxy-4-oxopyridine-2-carboxylic acid

C11H14N2O5 — CID 114201547

IUPAC1-(1-amino-2-methyl-1-oxopropan-2-yl)-5-methoxy-4-oxopyridine-2-carboxylic acid
SMILESCOc1cn(C(C)(C)C(N)=O)c(C(=O)O)cc1=O
InChIInChI=1S/C11H14N2O5/c1-11(2,10(12)17)13-5-8(18-3)7(14)4-6(13)9(15)16/h4-5H,1-3H3,(H2,12,17)(H,15,16)
InChIKeySEGJVUKHYJQYQR-UHFFFAOYSA-N
MW254.24 g/mol
LogP-0.22
Rot. Bonds4

About 1-(1-amino-2-methyl-1-oxopropan-2-yl)-5-methoxy-4-oxopyridine-2-carboxylic acid

1-(1-amino-2-methyl-1-oxopropan-2-yl)-5-methoxy-4-oxopyridine-2-carboxylic acid (PubChem CID 114201547) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 1-(1-amino-2-methyl-1-oxopropan-2-yl)-5-methoxy-4-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-amino-2-methyl-1-oxopropan-2-yl)-5-methoxy-4-oxopyridine-2-carboxylic acid
PubChem CID114201547
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name1-(1-amino-2-methyl-1-oxopropan-2-yl)-5-methoxy-4-oxopyridine-2-carboxylic acid
SMILESCOc1cn(C(C)(C)C(N)=O)c(C(=O)O)cc1=O
InChIInChI=1S/C11H14N2O5/c1-11(2,10(12)17)13-5-8(18-3)7(14)4-6(13)9(15)16/h4-5H,1-3H3,(H2,12,17)(H,15,16)
InChIKeySEGJVUKHYJQYQR-UHFFFAOYSA-N
XLogP-0.22
TPSA111.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-1-(1-methoxy-2-methylpropan-2-yl)-4-oxopyridine-2-carboxylic acid
CID 114201597
5-methoxy-4-oxo-1-(3-sulfamoylpropyl)pyridine-2-carboxylic acid
CID 114201546
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
1-(3-bromophenyl)-5-methoxy-4-oxopyridine-2-carboxylic acid
CID 114201468
2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanamide
CID 141443088
3-(2-amino-4,5-dimethoxyanilino)-2,2-dimethylpropanamide
CID 106275255
6-methoxy-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid
CID 102239387
3,4-dimethoxybenzoic acid;methanol
CID 144580050
2-(2,4-dimethoxyphenyl)-2-hydroxypropanamide
CID 62215379
2-methoxycycloprop-2-en-1-one
CID 140769587
2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]acetamide
CID 27452045

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-2-methyl-1-oxopropan-2-yl)-5-methoxy-4-oxopyridine-2-carboxylic acid?
The IUPAC name of 1-(1-amino-2-methyl-1-oxopropan-2-yl)-5-methoxy-4-oxopyridine-2-carboxylic acid (CID 114201547) is 1-(1-amino-2-methyl-1-oxopropan-2-yl)-5-methoxy-4-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 1-(1-amino-2-methyl-1-oxopropan-2-yl)-5-methoxy-4-oxopyridine-2-carboxylic acid?
The canonical SMILES for 1-(1-amino-2-methyl-1-oxopropan-2-yl)-5-methoxy-4-oxopyridine-2-carboxylic acid is COc1cn(C(C)(C)C(N)=O)c(C(=O)O)cc1=O.
What is the InChIKey of 1-(1-amino-2-methyl-1-oxopropan-2-yl)-5-methoxy-4-oxopyridine-2-carboxylic acid?
The InChIKey is SEGJVUKHYJQYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-11(2,10(12)17)13-5-8(18-3)7(14)4-6(13)9(15)16/h4-5H,1-3H3,(H2,12,17)(H,15,16).
What are the key properties of 1-(1-amino-2-methyl-1-oxopropan-2-yl)-5-methoxy-4-oxopyridine-2-carboxylic acid?
1-(1-amino-2-methyl-1-oxopropan-2-yl)-5-methoxy-4-oxopyridine-2-carboxylic acid has a molecular weight of 254.24 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-2-methyl-1-oxopropan-2-yl)-5-methoxy-4-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 114201547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).