methyl (2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-methylbutanoate

C11H16N2O3 — CID 130341078

IUPACmethyl (2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-methylbutanoate
SMILESCOC(=O)[C@@H](C)[C@@H](C)Oc1ncccc1N
InChIInChI=1S/C11H16N2O3/c1-7(11(14)15-3)8(2)16-10-9(12)5-4-6-13-10/h4-8H,12H2,1-3H3/t7-,8+/m0/s1
InChIKeyIXSKISXJFQVZET-JGVFFNPUSA-N
MW224.26 g/mol
LogP1.24
Rot. Bonds4

About methyl (2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-methylbutanoate

methyl (2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-methylbutanoate (PubChem CID 130341078) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl (2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-methylbutanoate.

Molecular Properties

Compound Namemethyl (2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-methylbutanoate
PubChem CID130341078
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Namemethyl (2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-methylbutanoate
SMILESCOC(=O)[C@@H](C)[C@@H](C)Oc1ncccc1N
InChIInChI=1S/C11H16N2O3/c1-7(11(14)15-3)8(2)16-10-9(12)5-4-6-13-10/h4-8H,12H2,1-3H3/t7-,8+/m0/s1
InChIKeyIXSKISXJFQVZET-JGVFFNPUSA-N
XLogP1.24
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-methylbutanoate?
The IUPAC name of methyl (2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-methylbutanoate (CID 130341078) is methyl (2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-methylbutanoate.
What is the SMILES notation for methyl (2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-methylbutanoate?
The canonical SMILES for methyl (2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-methylbutanoate is COC(=O)[C@@H](C)[C@@H](C)Oc1ncccc1N.
What is the InChIKey of methyl (2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-methylbutanoate?
The InChIKey is IXSKISXJFQVZET-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7(11(14)15-3)8(2)16-10-9(12)5-4-6-13-10/h4-8H,12H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of methyl (2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-methylbutanoate?
methyl (2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-methylbutanoate has a molecular weight of 224.26 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-methylbutanoate is sourced from PubChem (CID 130341078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).