6-amino-5-(1,2-dihydroxy-4-methoxy-4-oxobutyl)pyridine-3-carboxylic acid

C11H14N2O6 — CID 171895967

IUPAC6-amino-5-(1,2-dihydroxy-4-methoxy-4-oxobutyl)pyridine-3-carboxylic acid
SMILESCOC(=O)CC(O)C(O)c1cc(C(=O)O)cnc1N
InChIInChI=1S/C11H14N2O6/c1-19-8(15)3-7(14)9(16)6-2-5(11(17)18)4-13-10(6)12/h2,4,7,9,14,16H,3H2,1H3,(H2,12,13)(H,17,18)
InChIKeyXZYRCUUSNDIYCF-UHFFFAOYSA-N
MW270.24 g/mol
LogP-0.68
Rot. Bonds5

About 6-amino-5-(1,2-dihydroxy-4-methoxy-4-oxobutyl)pyridine-3-carboxylic acid

6-amino-5-(1,2-dihydroxy-4-methoxy-4-oxobutyl)pyridine-3-carboxylic acid (PubChem CID 171895967) has the molecular formula C11H14N2O6 and a molecular weight of 270.24 g/mol. Its IUPAC name is 6-amino-5-(1,2-dihydroxy-4-methoxy-4-oxobutyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-amino-5-(1,2-dihydroxy-4-methoxy-4-oxobutyl)pyridine-3-carboxylic acid
PubChem CID171895967
Molecular FormulaC11H14N2O6
Molecular Weight270.24 g/mol
Exact Mass270.09
IUPAC Name6-amino-5-(1,2-dihydroxy-4-methoxy-4-oxobutyl)pyridine-3-carboxylic acid
SMILESCOC(=O)CC(O)C(O)c1cc(C(=O)O)cnc1N
InChIInChI=1S/C11H14N2O6/c1-19-8(15)3-7(14)9(16)6-2-5(11(17)18)4-13-10(6)12/h2,4,7,9,14,16H,3H2,1H3,(H2,12,13)(H,17,18)
InChIKeyXZYRCUUSNDIYCF-UHFFFAOYSA-N
XLogP-0.68
TPSA142.97 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 5-0.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-amino-5-methoxycarbonyl-3-pyridinyl)-3,4-dihydroxybutanoic acid
CID 171878308
methyl 4-(2-amino-5-nitro-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171896095
6-amino-5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carboxylic acid
CID 171901343
methyl 4-(3-amino-6-chloropyridazin-4-yl)-3,4-dihydroxybutanoate
CID 171895389
methyl 6-amino-5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylate
CID 171881890
3-(1,2-dihydroxy-4-methoxy-4-oxobutyl)-4-fluorobenzoic acid
CID 171895857
ethyl 4-(2-amino-5-chloro-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171897021
methyl 4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-3,4-dihydroxybutanoate
CID 171895585
6-amino-5-(4-azido-1,2-dihydroxybutyl)pyridine-3-carboxylic acid
CID 171879842
methyl 4-(2-aminopyrimidin-5-yl)-3,4-dihydroxybutanoate
CID 171895107
3-chloro-4-(1,2-dihydroxy-4-methoxy-4-oxobutyl)benzoic acid
CID 171895855
methyl 6-amino-5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate
CID 171885474

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(1,2-dihydroxy-4-methoxy-4-oxobutyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-amino-5-(1,2-dihydroxy-4-methoxy-4-oxobutyl)pyridine-3-carboxylic acid (CID 171895967) is 6-amino-5-(1,2-dihydroxy-4-methoxy-4-oxobutyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-amino-5-(1,2-dihydroxy-4-methoxy-4-oxobutyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-amino-5-(1,2-dihydroxy-4-methoxy-4-oxobutyl)pyridine-3-carboxylic acid is COC(=O)CC(O)C(O)c1cc(C(=O)O)cnc1N.
What is the InChIKey of 6-amino-5-(1,2-dihydroxy-4-methoxy-4-oxobutyl)pyridine-3-carboxylic acid?
The InChIKey is XZYRCUUSNDIYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O6/c1-19-8(15)3-7(14)9(16)6-2-5(11(17)18)4-13-10(6)12/h2,4,7,9,14,16H,3H2,1H3,(H2,12,13)(H,17,18).
What are the key properties of 6-amino-5-(1,2-dihydroxy-4-methoxy-4-oxobutyl)pyridine-3-carboxylic acid?
6-amino-5-(1,2-dihydroxy-4-methoxy-4-oxobutyl)pyridine-3-carboxylic acid has a molecular weight of 270.24 g/mol, XLogP of -0.68, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(1,2-dihydroxy-4-methoxy-4-oxobutyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 171895967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).