methyl 2-amino-5-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylate

C12H16N2O6 — CID 171866731

IUPACmethyl 2-amino-5-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylate
SMILESCCOC(=O)C(O)C(O)c1cnc(N)c(C(=O)OC)c1
InChIInChI=1S/C12H16N2O6/c1-3-20-12(18)9(16)8(15)6-4-7(11(17)19-2)10(13)14-5-6/h4-5,8-9,15-16H,3H2,1-2H3,(H2,13,14)
InChIKeyWGMNMMQAWKIFLB-UHFFFAOYSA-N
MW284.27 g/mol
LogP-0.59
Rot. Bonds5

About methyl 2-amino-5-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylate

methyl 2-amino-5-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylate (PubChem CID 171866731) has the molecular formula C12H16N2O6 and a molecular weight of 284.27 g/mol. Its IUPAC name is methyl 2-amino-5-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylate
PubChem CID171866731
Molecular FormulaC12H16N2O6
Molecular Weight284.27 g/mol
Exact Mass284.10
IUPAC Namemethyl 2-amino-5-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylate
SMILESCCOC(=O)C(O)C(O)c1cnc(N)c(C(=O)OC)c1
InChIInChI=1S/C12H16N2O6/c1-3-20-12(18)9(16)8(15)6-4-7(11(17)19-2)10(13)14-5-6/h4-5,8-9,15-16H,3H2,1-2H3,(H2,13,14)
InChIKeyWGMNMMQAWKIFLB-UHFFFAOYSA-N
XLogP-0.59
TPSA131.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 2-amino-5-(3-amino-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylate
CID 171868795
methyl 2-amino-5-(4-amino-1,2-dihydroxy-4-oxobutyl)pyridine-3-carboxylate
CID 171899806
methyl 2-amino-5-(1,2-dihydroxy-4-sulfanylbutyl)pyridine-3-carboxylate
CID 171874724
methyl 5-(4-acetamido-1,2-dihydroxybutyl)-2-aminopyridine-3-carboxylate
CID 171883681
ethyl 2,3-dihydroxy-3-(2-methoxypyrimidin-5-yl)propanoate
CID 171865797
ethyl 3-(2-chloropyrimidin-5-yl)-2,3-dihydroxypropanoate
CID 118141576
ethyl 2,3-dihydroxy-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)propanoate
CID 171866256
methyl 2,5-diaminopyridine-3-carboxylate
CID 83792494
methyl 5-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyrimidine-2-carboxylate
CID 171864430
methyl 2-amino-5-(4-ethoxy-4-oxobut-1-enyl)pyridine-3-carboxylate
CID 170796737
methyl 3-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-5-fluorobenzoate
CID 171866654
ethyl 3-(5-amino-6-methoxypyrazin-2-yl)-2,3-dihydroxypropanoate
CID 171866243

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-amino-5-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylate (CID 171866731) is methyl 2-amino-5-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-amino-5-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-amino-5-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylate is CCOC(=O)C(O)C(O)c1cnc(N)c(C(=O)OC)c1.
What is the InChIKey of methyl 2-amino-5-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylate?
The InChIKey is WGMNMMQAWKIFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O6/c1-3-20-12(18)9(16)8(15)6-4-7(11(17)19-2)10(13)14-5-6/h4-5,8-9,15-16H,3H2,1-2H3,(H2,13,14).
What are the key properties of methyl 2-amino-5-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylate?
methyl 2-amino-5-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylate has a molecular weight of 284.27 g/mol, XLogP of -0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylate is sourced from PubChem (CID 171866731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).