1-(2,2-Dimethoxyethyl)-5-methoxy-6-(methoxycarbonyl)-4-oxo-1,4-dihydropyridine-3-carboxylic acid

C₁₃H₁₇NO₈CAS 1335210-23-5315.28 g/mol

Open in Covalent MOL file

Acetal Carboxylic acid Ester Ether

Properties

Molecular formula: C₁₃H₁₇NO₈
Molar mass: 315.28 g/mol
Exact mass: 315.0954 Da
logP: -0.04Crippen estimate
Polar surface area: 113.3 Å²
H-bond donors / acceptors: 1 / 7
Rotatable bonds: 7

Identifiers

CAS number

1335210-23-5

SMILES

COC1=C(N(C=C(C1=O)C(=O)O)CC(OC)OC)C(=O)OC

InChIKey

XAXGEECGULRZGN-UHFFFAOYSA-N

InChI

InChI=1S/C13H17NO8/c1-19-8(20-2)6-14-5-7(12(16)17)10(15)11(21-3)9(14)13(18)22-4/h5,8H,6H2,1-4H3,(H,16,17)

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Similar compounds

5-[[[(2,4-Difluorophenyl)methyl]amino]carbonyl]-1-(2,2-dimethoxyethyl)-1,4-dihydro-4-oxo-3-(phenylmethoxy)-2-pyridinecarboxylic acid methyl ester1229006-21-644 % similar 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid112811-72-039 % similar Monomethyl phthalate4376-18-538 % similar 2,3,4-Trimethoxybenzoic acid573-11-537 % similar Oxolinic acid14698-29-435 % similar 2-Amino-3,4,5-trimethoxybenzoic acid61948-85-434 % similar Monomethyl terephthalate1679-64-734 % similar 2,3-Dimethoxybenzoic acid1521-38-634 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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