ethyl (2S,3R)-2-amino-3-hydroxy-3-pyridin-2-ylpropanoate

C10H14N2O3 — CID 124510790

IUPACethyl (2S,3R)-2-amino-3-hydroxy-3-pyridin-2-ylpropanoate
SMILESCCOC(=O)[C@@H](N)[C@@H](O)c1ccccn1
InChIInChI=1S/C10H14N2O3/c1-2-15-10(14)8(11)9(13)7-5-3-4-6-12-7/h3-6,8-9,13H,2,11H2,1H3/t8-,9-/m0/s1
InChIKeyOSHMQQLYKVDOGG-IUCAKERBSA-N
MW210.23 g/mol
LogP0.01
Rot. Bonds4

About ethyl (2S,3R)-2-amino-3-hydroxy-3-pyridin-2-ylpropanoate

ethyl (2S,3R)-2-amino-3-hydroxy-3-pyridin-2-ylpropanoate (PubChem CID 124510790) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl (2S,3R)-2-amino-3-hydroxy-3-pyridin-2-ylpropanoate.

Molecular Properties

Compound Nameethyl (2S,3R)-2-amino-3-hydroxy-3-pyridin-2-ylpropanoate
PubChem CID124510790
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Nameethyl (2S,3R)-2-amino-3-hydroxy-3-pyridin-2-ylpropanoate
SMILESCCOC(=O)[C@@H](N)[C@@H](O)c1ccccn1
InChIInChI=1S/C10H14N2O3/c1-2-15-10(14)8(11)9(13)7-5-3-4-6-12-7/h3-6,8-9,13H,2,11H2,1H3/t8-,9-/m0/s1
InChIKeyOSHMQQLYKVDOGG-IUCAKERBSA-N
XLogP0.01
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-formamido-3-hydroxy-3-pyridin-2-ylpropanoate
CID 66207149
ethyl (2R,3R)-2-amino-3-hydroxy-3-(2-methyl-3-pyridinyl)propanoate
CID 125458214
ethyl 2-phenyl-2-pyridin-2-ylacetate
CID 10752615
ethyl (2R,3S)-2-amino-3-hydroxy-3-phenylpropanoate
CID 759476
ethyl (2S,3S)-2-amino-3-hydroxy-3-phenylpropanoate;hydrochloride
CID 166438818
2-methyl-1-pyridin-2-ylbutan-1-ol
CID 79444533
ethyl 2-[hydroxy(pyridin-2-yl)methyl]prop-2-enoate
CID 15812390
ethyl N-(dipyridin-2-ylmethyl)carbamate
CID 162768521
(2S)-2-amino-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]pentanamide
CID 81407362
ethyl (2R)-2-amino-3-pyridin-2-ylpropanoate
CID 57496737
2-amino-3-methyl-1-pyridin-2-ylbutan-1-ol
CID 82280795
2,3-dihydroxy-3-pyridin-2-ylpropanamide
CID 171867575

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3R)-2-amino-3-hydroxy-3-pyridin-2-ylpropanoate?
The IUPAC name of ethyl (2S,3R)-2-amino-3-hydroxy-3-pyridin-2-ylpropanoate (CID 124510790) is ethyl (2S,3R)-2-amino-3-hydroxy-3-pyridin-2-ylpropanoate.
What is the SMILES notation for ethyl (2S,3R)-2-amino-3-hydroxy-3-pyridin-2-ylpropanoate?
The canonical SMILES for ethyl (2S,3R)-2-amino-3-hydroxy-3-pyridin-2-ylpropanoate is CCOC(=O)[C@@H](N)[C@@H](O)c1ccccn1.
What is the InChIKey of ethyl (2S,3R)-2-amino-3-hydroxy-3-pyridin-2-ylpropanoate?
The InChIKey is OSHMQQLYKVDOGG-IUCAKERBSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-15-10(14)8(11)9(13)7-5-3-4-6-12-7/h3-6,8-9,13H,2,11H2,1H3/t8-,9-/m0/s1.
What are the key properties of ethyl (2S,3R)-2-amino-3-hydroxy-3-pyridin-2-ylpropanoate?
ethyl (2S,3R)-2-amino-3-hydroxy-3-pyridin-2-ylpropanoate has a molecular weight of 210.23 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3R)-2-amino-3-hydroxy-3-pyridin-2-ylpropanoate is sourced from PubChem (CID 124510790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).