methyl (2R)-2-amino-2-(5-hydroxy-2-pyridinyl)propanoate

C9H12N2O3 — CID 130949057

IUPACmethyl (2R)-2-amino-2-(5-hydroxy-2-pyridinyl)propanoate
SMILESCOC(=O)[C@](C)(N)c1ccc(O)cn1
InChIInChI=1S/C9H12N2O3/c1-9(10,8(13)14-2)7-4-3-6(12)5-11-7/h3-5,12H,10H2,1-2H3/t9-/m1/s1
InChIKeyOELCZDQWAPGBPL-SECBINFHSA-N
MW196.21 g/mol
LogP0.13
Rot. Bonds2

About methyl (2R)-2-amino-2-(5-hydroxy-2-pyridinyl)propanoate

methyl (2R)-2-amino-2-(5-hydroxy-2-pyridinyl)propanoate (PubChem CID 130949057) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-(5-hydroxy-2-pyridinyl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-(5-hydroxy-2-pyridinyl)propanoate
PubChem CID130949057
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Namemethyl (2R)-2-amino-2-(5-hydroxy-2-pyridinyl)propanoate
SMILESCOC(=O)[C@](C)(N)c1ccc(O)cn1
InChIInChI=1S/C9H12N2O3/c1-9(10,8(13)14-2)7-4-3-6(12)5-11-7/h3-5,12H,10H2,1-2H3/t9-/m1/s1
InChIKeyOELCZDQWAPGBPL-SECBINFHSA-N
XLogP0.13
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2R)-2-amino-2-(1,3-thiazol-4-yl)propanoate
CID 57171667
methyl (2S)-2-amino-2-(4-methyl-2-pyridinyl)propanoate
CID 130689989
6-[2-(4-methoxyphenyl)propan-2-yl]pyridin-3-ol
CID 167437084
acetic acid;6-(trifluoromethyl)pyridin-3-ol
CID 162333498
(2S)-2-amino-2-(5-amino-2-pyridinyl)propanoic acid
CID 55274048
methyl 3-(5-hydroxy-2-pyridinyl)-2-methylpropanoate
CID 134591352
methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride
CID 141027321
methyl 2-(2,2-dimethylpropanoylamino)-3-(5-hydroxy-2-pyridinyl)propanoate
CID 59079990
methyl (2S)-2-amino-2-(2-bromo-4-pyridinyl)propanoate
CID 131080958
6-[tris(methylsulfanyl)methyl]pyridin-3-ol
CID 134123510
methyl (2S)-2-amino-2-(3,4-dichlorophenyl)propanoate
CID 93311074
methyl (2R)-2-amino-2-(3,4-dichlorophenyl)propanoate
CID 93311073

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-(5-hydroxy-2-pyridinyl)propanoate?
The IUPAC name of methyl (2R)-2-amino-2-(5-hydroxy-2-pyridinyl)propanoate (CID 130949057) is methyl (2R)-2-amino-2-(5-hydroxy-2-pyridinyl)propanoate.
What is the SMILES notation for methyl (2R)-2-amino-2-(5-hydroxy-2-pyridinyl)propanoate?
The canonical SMILES for methyl (2R)-2-amino-2-(5-hydroxy-2-pyridinyl)propanoate is COC(=O)[C@](C)(N)c1ccc(O)cn1.
What is the InChIKey of methyl (2R)-2-amino-2-(5-hydroxy-2-pyridinyl)propanoate?
The InChIKey is OELCZDQWAPGBPL-SECBINFHSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-9(10,8(13)14-2)7-4-3-6(12)5-11-7/h3-5,12H,10H2,1-2H3/t9-/m1/s1.
What are the key properties of methyl (2R)-2-amino-2-(5-hydroxy-2-pyridinyl)propanoate?
methyl (2R)-2-amino-2-(5-hydroxy-2-pyridinyl)propanoate has a molecular weight of 196.21 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-2-(5-hydroxy-2-pyridinyl)propanoate is sourced from PubChem (CID 130949057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).