methyl 3-(5-amino-2-methoxy-3-pyridinyl)-2,3-dihydroxypropanoate

C10H14N2O5 — CID 171864066

IUPACmethyl 3-(5-amino-2-methoxy-3-pyridinyl)-2,3-dihydroxypropanoate
SMILESCOC(=O)C(O)C(O)c1cc(N)cnc1OC
InChIInChI=1S/C10H14N2O5/c1-16-9-6(3-5(11)4-12-9)7(13)8(14)10(15)17-2/h3-4,7-8,13-14H,11H2,1-2H3
InChIKeySRTZCXPFZPDAPC-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.76
Rot. Bonds4

About methyl 3-(5-amino-2-methoxy-3-pyridinyl)-2,3-dihydroxypropanoate

methyl 3-(5-amino-2-methoxy-3-pyridinyl)-2,3-dihydroxypropanoate (PubChem CID 171864066) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is methyl 3-(5-amino-2-methoxy-3-pyridinyl)-2,3-dihydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-(5-amino-2-methoxy-3-pyridinyl)-2,3-dihydroxypropanoate
PubChem CID171864066
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Namemethyl 3-(5-amino-2-methoxy-3-pyridinyl)-2,3-dihydroxypropanoate
SMILESCOC(=O)C(O)C(O)c1cc(N)cnc1OC
InChIInChI=1S/C10H14N2O5/c1-16-9-6(3-5(11)4-12-9)7(13)8(14)10(15)17-2/h3-4,7-8,13-14H,11H2,1-2H3
InChIKeySRTZCXPFZPDAPC-UHFFFAOYSA-N
XLogP-0.76
TPSA114.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-(5-amino-2-methoxy-3-pyridinyl)-3-(methylamino)propane-1,2-diol
CID 171857957
methyl 3-(5-amino-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171863534
methyl 3-(5-amino-2-methylphenyl)-2,3-dihydroxypropanoate
CID 171863792
methyl 3-(4-amino-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171863533
5-[(1R)-1-aminoprop-2-enyl]-6-methoxypyridin-3-amine
CID 55274368
methyl 2,3-dihydroxy-3-(5-methyl-1H-pyrazol-4-yl)propanoate
CID 171863485
methyl 1-[(5-amino-3-methoxy-2-pyridinyl)oxy]cyclopropane-1-carboxylate
CID 168842871
methyl 3-[2-chloro-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroxypropanoate
CID 171864714
methyl 5-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyrimidine-2-carboxylate
CID 171864430
methyl 3-(2-fluoro-4,5-dimethoxyphenyl)-2,3-dihydroxypropanoate
CID 171865301
1-(5-amino-2-methoxy-3-pyridinyl)propan-1-one
CID 174731306
methyl 3-(2-bromo-4,5-dimethoxyphenyl)-2,3-dihydroxypropanoate
CID 171865302

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-amino-2-methoxy-3-pyridinyl)-2,3-dihydroxypropanoate?
The IUPAC name of methyl 3-(5-amino-2-methoxy-3-pyridinyl)-2,3-dihydroxypropanoate (CID 171864066) is methyl 3-(5-amino-2-methoxy-3-pyridinyl)-2,3-dihydroxypropanoate.
What is the SMILES notation for methyl 3-(5-amino-2-methoxy-3-pyridinyl)-2,3-dihydroxypropanoate?
The canonical SMILES for methyl 3-(5-amino-2-methoxy-3-pyridinyl)-2,3-dihydroxypropanoate is COC(=O)C(O)C(O)c1cc(N)cnc1OC.
What is the InChIKey of methyl 3-(5-amino-2-methoxy-3-pyridinyl)-2,3-dihydroxypropanoate?
The InChIKey is SRTZCXPFZPDAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-16-9-6(3-5(11)4-12-9)7(13)8(14)10(15)17-2/h3-4,7-8,13-14H,11H2,1-2H3.
What are the key properties of methyl 3-(5-amino-2-methoxy-3-pyridinyl)-2,3-dihydroxypropanoate?
methyl 3-(5-amino-2-methoxy-3-pyridinyl)-2,3-dihydroxypropanoate has a molecular weight of 242.23 g/mol, XLogP of -0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-amino-2-methoxy-3-pyridinyl)-2,3-dihydroxypropanoate is sourced from PubChem (CID 171864066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).