ethyl 3-(3-amino-6-methyl-2-pyridinyl)-2,3-dihydroxypropanoate

C11H16N2O4 — CID 171865781

IUPACethyl 3-(3-amino-6-methyl-2-pyridinyl)-2,3-dihydroxypropanoate
SMILESCCOC(=O)C(O)C(O)c1nc(C)ccc1N
InChIInChI=1S/C11H16N2O4/c1-3-17-11(16)10(15)9(14)8-7(12)5-4-6(2)13-8/h4-5,9-10,14-15H,3,12H2,1-2H3
InChIKeyHGVHNTDEXRBAFE-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.07
Rot. Bonds4

About ethyl 3-(3-amino-6-methyl-2-pyridinyl)-2,3-dihydroxypropanoate

ethyl 3-(3-amino-6-methyl-2-pyridinyl)-2,3-dihydroxypropanoate (PubChem CID 171865781) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is ethyl 3-(3-amino-6-methyl-2-pyridinyl)-2,3-dihydroxypropanoate.

Molecular Properties

Compound Nameethyl 3-(3-amino-6-methyl-2-pyridinyl)-2,3-dihydroxypropanoate
PubChem CID171865781
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Nameethyl 3-(3-amino-6-methyl-2-pyridinyl)-2,3-dihydroxypropanoate
SMILESCCOC(=O)C(O)C(O)c1nc(C)ccc1N
InChIInChI=1S/C11H16N2O4/c1-3-17-11(16)10(15)9(14)8-7(12)5-4-6(2)13-8/h4-5,9-10,14-15H,3,12H2,1-2H3
InChIKeyHGVHNTDEXRBAFE-UHFFFAOYSA-N
XLogP-0.07
TPSA105.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-(3-amino-6-chloro-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171865756
ethyl 2,3-dihydroxy-3-(4-methylpyrimidin-2-yl)propanoate
CID 171865570
ethyl 3-(3-amino-5-chloro-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171865754
ethyl 4-amino-3-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)benzoate
CID 171867019
ethyl 3-[4-amino-3-(hydroxymethyl)phenyl]-2,3-dihydroxypropanoate
CID 171866211
ethyl 3-(4-aminophenyl)-2,3-dihydroxypropanoate
CID 171865608
ethyl 3-(3-amino-2,6-difluorophenyl)-2,3-dihydroxypropanoate
CID 171866170
ethyl 3-(2-amino-5-propan-2-ylphenyl)-2,3-dihydroxypropanoate
CID 171866516
2-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylic acid
CID 171866199
ethyl 2,3-dihydroxy-3-(4-hydroxyphenyl)propanoate
CID 171865553
ethyl 3-(2-amino-4-fluorophenyl)-2,3-dihydroxypropanoate
CID 171865814
ethyl 3-(4-amino-3-nitrophenyl)-2,3-dihydroxypropanoate
CID 171866491

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-amino-6-methyl-2-pyridinyl)-2,3-dihydroxypropanoate?
The IUPAC name of ethyl 3-(3-amino-6-methyl-2-pyridinyl)-2,3-dihydroxypropanoate (CID 171865781) is ethyl 3-(3-amino-6-methyl-2-pyridinyl)-2,3-dihydroxypropanoate.
What is the SMILES notation for ethyl 3-(3-amino-6-methyl-2-pyridinyl)-2,3-dihydroxypropanoate?
The canonical SMILES for ethyl 3-(3-amino-6-methyl-2-pyridinyl)-2,3-dihydroxypropanoate is CCOC(=O)C(O)C(O)c1nc(C)ccc1N.
What is the InChIKey of ethyl 3-(3-amino-6-methyl-2-pyridinyl)-2,3-dihydroxypropanoate?
The InChIKey is HGVHNTDEXRBAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-3-17-11(16)10(15)9(14)8-7(12)5-4-6(2)13-8/h4-5,9-10,14-15H,3,12H2,1-2H3.
What are the key properties of ethyl 3-(3-amino-6-methyl-2-pyridinyl)-2,3-dihydroxypropanoate?
ethyl 3-(3-amino-6-methyl-2-pyridinyl)-2,3-dihydroxypropanoate has a molecular weight of 240.26 g/mol, XLogP of -0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-amino-6-methyl-2-pyridinyl)-2,3-dihydroxypropanoate is sourced from PubChem (CID 171865781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).