methyl 3-(4-amino-2-pyridinyl)-2,3-dihydroxypropanoate

C9H12N2O4 — CID 171863533

IUPACmethyl 3-(4-amino-2-pyridinyl)-2,3-dihydroxypropanoate
SMILESCOC(=O)C(O)C(O)c1cc(N)ccn1
InChIInChI=1S/C9H12N2O4/c1-15-9(14)8(13)7(12)6-4-5(10)2-3-11-6/h2-4,7-8,12-13H,1H3,(H2,10,11)
InChIKeyLYLCHROPQMERFQ-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.77
Rot. Bonds3

About methyl 3-(4-amino-2-pyridinyl)-2,3-dihydroxypropanoate

methyl 3-(4-amino-2-pyridinyl)-2,3-dihydroxypropanoate (PubChem CID 171863533) has the molecular formula C9H12N2O4 and a molecular weight of 212.21 g/mol. Its IUPAC name is methyl 3-(4-amino-2-pyridinyl)-2,3-dihydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-(4-amino-2-pyridinyl)-2,3-dihydroxypropanoate
PubChem CID171863533
Molecular FormulaC9H12N2O4
Molecular Weight212.21 g/mol
Exact Mass212.08
IUPAC Namemethyl 3-(4-amino-2-pyridinyl)-2,3-dihydroxypropanoate
SMILESCOC(=O)C(O)C(O)c1cc(N)ccn1
InChIInChI=1S/C9H12N2O4/c1-15-9(14)8(13)7(12)6-4-5(10)2-3-11-6/h2-4,7-8,12-13H,1H3,(H2,10,11)
InChIKeyLYLCHROPQMERFQ-UHFFFAOYSA-N
XLogP-0.77
TPSA105.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(4-chloro-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171863547
methyl 3-(5-amino-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171863534
methyl 3-(5-amino-2-methylphenyl)-2,3-dihydroxypropanoate
CID 171863792
methyl 2-(3-amino-1,2-dihydroxy-3-oxopropyl)pyridine-4-carboxylate
CID 171868625
1-(4-amino-2-pyridinyl)-3-sulfanylpropane-1,2-diol
CID 170819333
methyl 4-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyridine-2-carboxylate
CID 171864522
methyl 3-(5-amino-2-methoxy-3-pyridinyl)-2,3-dihydroxypropanoate
CID 171864066
4-amino-N-methoxypyridine-2-carboxamide
CID 170972703
methyl 4-aminopyridine-2-carboxylate
CID 3759117
2-(1-methoxypropyl)pyridin-4-amine
CID 164926750
methyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate
CID 171864461
2,3-dihydroxy-3-(4-methyl-2-pyridinyl)propanoic acid
CID 170823470

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-amino-2-pyridinyl)-2,3-dihydroxypropanoate?
The IUPAC name of methyl 3-(4-amino-2-pyridinyl)-2,3-dihydroxypropanoate (CID 171863533) is methyl 3-(4-amino-2-pyridinyl)-2,3-dihydroxypropanoate.
What is the SMILES notation for methyl 3-(4-amino-2-pyridinyl)-2,3-dihydroxypropanoate?
The canonical SMILES for methyl 3-(4-amino-2-pyridinyl)-2,3-dihydroxypropanoate is COC(=O)C(O)C(O)c1cc(N)ccn1.
What is the InChIKey of methyl 3-(4-amino-2-pyridinyl)-2,3-dihydroxypropanoate?
The InChIKey is LYLCHROPQMERFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-15-9(14)8(13)7(12)6-4-5(10)2-3-11-6/h2-4,7-8,12-13H,1H3,(H2,10,11).
What are the key properties of methyl 3-(4-amino-2-pyridinyl)-2,3-dihydroxypropanoate?
methyl 3-(4-amino-2-pyridinyl)-2,3-dihydroxypropanoate has a molecular weight of 212.21 g/mol, XLogP of -0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-amino-2-pyridinyl)-2,3-dihydroxypropanoate is sourced from PubChem (CID 171863533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).