ethyl (2S,3R)-2-amino-3-hydroxy-3-(6-methoxy-3-pyridinyl)propanoate

C11H16N2O4 — CID 124593930

IUPACethyl (2S,3R)-2-amino-3-hydroxy-3-(6-methoxy-3-pyridinyl)propanoate
SMILESCCOC(=O)[C@@H](N)[C@H](O)c1ccc(OC)nc1
InChIInChI=1S/C11H16N2O4/c1-3-17-11(15)9(12)10(14)7-4-5-8(16-2)13-6-7/h4-6,9-10,14H,3,12H2,1-2H3/t9-,10+/m0/s1
InChIKeyDPJSOYYQOQLKPS-VHSXEESVSA-N
MW240.26 g/mol
LogP0.01
Rot. Bonds5

About ethyl (2S,3R)-2-amino-3-hydroxy-3-(6-methoxy-3-pyridinyl)propanoate

ethyl (2S,3R)-2-amino-3-hydroxy-3-(6-methoxy-3-pyridinyl)propanoate (PubChem CID 124593930) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is ethyl (2S,3R)-2-amino-3-hydroxy-3-(6-methoxy-3-pyridinyl)propanoate.

Molecular Properties

Compound Nameethyl (2S,3R)-2-amino-3-hydroxy-3-(6-methoxy-3-pyridinyl)propanoate
PubChem CID124593930
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Nameethyl (2S,3R)-2-amino-3-hydroxy-3-(6-methoxy-3-pyridinyl)propanoate
SMILESCCOC(=O)[C@@H](N)[C@H](O)c1ccc(OC)nc1
InChIInChI=1S/C11H16N2O4/c1-3-17-11(15)9(12)10(14)7-4-5-8(16-2)13-6-7/h4-6,9-10,14H,3,12H2,1-2H3/t9-,10+/m0/s1
InChIKeyDPJSOYYQOQLKPS-VHSXEESVSA-N
XLogP0.01
TPSA94.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (2R,3S)-2-amino-3-(6-bromo-3-pyridinyl)-3-hydroxypropanoate
CID 125456251
ethyl (2R,3R)-2-amino-3-(6-bromo-3-pyridinyl)-3-hydroxypropanoate
CID 125456263
2-amino-1-(6-methoxy-3-pyridinyl)butan-1-ol
CID 114937489
ethyl 2-cyano-2-(6-methoxy-3-pyridinyl)acetate
CID 118104999
methyl 2,3-dihydroxy-3-(6-methoxy-3-pyridinyl)propanoate
CID 171863841
ethyl (2S,3S)-2-amino-3-hydroxy-3-[6-[methyl(propan-2-yl)amino]-3-pyridinyl]propanoate
CID 125458862
methyl 2-[hydroxy-(6-methoxy-3-pyridinyl)methyl]hexanoate
CID 114938482
1-(6-methoxy-3-pyridinyl)-2-methylbutan-1-ol
CID 114938063
ethyl 2-(butan-2-ylamino)-2-(6-methoxy-3-pyridinyl)acetate
CID 114937457
(3S)-3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 7016830
1-(6-methoxy-3-pyridinyl)-2-nitropropan-1-ol
CID 59339701
3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 18000263

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3R)-2-amino-3-hydroxy-3-(6-methoxy-3-pyridinyl)propanoate?
The IUPAC name of ethyl (2S,3R)-2-amino-3-hydroxy-3-(6-methoxy-3-pyridinyl)propanoate (CID 124593930) is ethyl (2S,3R)-2-amino-3-hydroxy-3-(6-methoxy-3-pyridinyl)propanoate.
What is the SMILES notation for ethyl (2S,3R)-2-amino-3-hydroxy-3-(6-methoxy-3-pyridinyl)propanoate?
The canonical SMILES for ethyl (2S,3R)-2-amino-3-hydroxy-3-(6-methoxy-3-pyridinyl)propanoate is CCOC(=O)[C@@H](N)[C@H](O)c1ccc(OC)nc1.
What is the InChIKey of ethyl (2S,3R)-2-amino-3-hydroxy-3-(6-methoxy-3-pyridinyl)propanoate?
The InChIKey is DPJSOYYQOQLKPS-VHSXEESVSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-3-17-11(15)9(12)10(14)7-4-5-8(16-2)13-6-7/h4-6,9-10,14H,3,12H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of ethyl (2S,3R)-2-amino-3-hydroxy-3-(6-methoxy-3-pyridinyl)propanoate?
ethyl (2S,3R)-2-amino-3-hydroxy-3-(6-methoxy-3-pyridinyl)propanoate has a molecular weight of 240.26 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3R)-2-amino-3-hydroxy-3-(6-methoxy-3-pyridinyl)propanoate is sourced from PubChem (CID 124593930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).