ethyl (2R,3R)-2-amino-3-hydroxy-3-(2-methyl-3-pyridinyl)propanoate

C11H16N2O3 — CID 125458214

IUPACethyl (2R,3R)-2-amino-3-hydroxy-3-(2-methyl-3-pyridinyl)propanoate
SMILESCCOC(=O)[C@H](N)[C@H](O)c1cccnc1C
InChIInChI=1S/C11H16N2O3/c1-3-16-11(15)9(12)10(14)8-5-4-6-13-7(8)2/h4-6,9-10,14H,3,12H2,1-2H3/t9-,10-/m1/s1
InChIKeyOSBPUTYCWBFWEB-NXEZZACHSA-N
MW224.26 g/mol
LogP0.31
Rot. Bonds4

About ethyl (2R,3R)-2-amino-3-hydroxy-3-(2-methyl-3-pyridinyl)propanoate

ethyl (2R,3R)-2-amino-3-hydroxy-3-(2-methyl-3-pyridinyl)propanoate (PubChem CID 125458214) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl (2R,3R)-2-amino-3-hydroxy-3-(2-methyl-3-pyridinyl)propanoate.

Molecular Properties

Compound Nameethyl (2R,3R)-2-amino-3-hydroxy-3-(2-methyl-3-pyridinyl)propanoate
PubChem CID125458214
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Nameethyl (2R,3R)-2-amino-3-hydroxy-3-(2-methyl-3-pyridinyl)propanoate
SMILESCCOC(=O)[C@H](N)[C@H](O)c1cccnc1C
InChIInChI=1S/C11H16N2O3/c1-3-16-11(15)9(12)10(14)8-5-4-6-13-7(8)2/h4-6,9-10,14H,3,12H2,1-2H3/t9-,10-/m1/s1
InChIKeyOSBPUTYCWBFWEB-NXEZZACHSA-N
XLogP0.31
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2R,3R)-2-amino-3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate
CID 125458773
ethyl 2-chloro-2-(2-methyl-3-pyridinyl)acetate
CID 142676522
ethyl (2S,3R)-2-amino-3-hydroxy-3-pyridin-2-ylpropanoate
CID 124510790
2,3-dihydroxy-3-(2-methyl-3-pyridinyl)propanoic acid
CID 170823469
methyl 2-hydroxy-2-(2-methyl-3-pyridinyl)acetate
CID 57017613
ethyl 2-amino-3-(3-chloro-2-fluorophenyl)-3-hydroxypropanoate
CID 114488235
ethyl (2R,3S)-2-amino-3-hydroxy-3-phenylpropanoate
CID 759476
(1R)-2-amino-1-(2-methyl-3-pyridinyl)ethanol
CID 96635768
ethyl 2-(4-methylpiperazin-1-yl)-2-(2-methyl-3-pyridinyl)acetate
CID 59570462
tert-butyl (2S,3S)-2-amino-3-(2-bromo-3-pyridinyl)-3-hydroxypropanoate
CID 125456888
ethyl (2S,3S)-2-amino-3-hydroxy-3-phenylpropanoate;hydrochloride
CID 166438818
ethyl 2-amino-3-hydroxy-3-phenylpropanoate;hydrochloride
CID 12748096

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R)-2-amino-3-hydroxy-3-(2-methyl-3-pyridinyl)propanoate?
The IUPAC name of ethyl (2R,3R)-2-amino-3-hydroxy-3-(2-methyl-3-pyridinyl)propanoate (CID 125458214) is ethyl (2R,3R)-2-amino-3-hydroxy-3-(2-methyl-3-pyridinyl)propanoate.
What is the SMILES notation for ethyl (2R,3R)-2-amino-3-hydroxy-3-(2-methyl-3-pyridinyl)propanoate?
The canonical SMILES for ethyl (2R,3R)-2-amino-3-hydroxy-3-(2-methyl-3-pyridinyl)propanoate is CCOC(=O)[C@H](N)[C@H](O)c1cccnc1C.
What is the InChIKey of ethyl (2R,3R)-2-amino-3-hydroxy-3-(2-methyl-3-pyridinyl)propanoate?
The InChIKey is OSBPUTYCWBFWEB-NXEZZACHSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-16-11(15)9(12)10(14)8-5-4-6-13-7(8)2/h4-6,9-10,14H,3,12H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of ethyl (2R,3R)-2-amino-3-hydroxy-3-(2-methyl-3-pyridinyl)propanoate?
ethyl (2R,3R)-2-amino-3-hydroxy-3-(2-methyl-3-pyridinyl)propanoate has a molecular weight of 224.26 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R)-2-amino-3-hydroxy-3-(2-methyl-3-pyridinyl)propanoate is sourced from PubChem (CID 125458214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).