methyl (2R)-2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate

C11H15NO4 — CID 171238032

IUPACmethyl (2R)-2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate
SMILESCOC(=O)[C@H](N)Cc1cc(OC)ccc1O
InChIInChI=1S/C11H15NO4/c1-15-8-3-4-10(13)7(5-8)6-9(12)11(14)16-2/h3-5,9,13H,6,12H2,1-2H3/t9-/m1/s1
InChIKeyIUZMOAMXFOYOJH-SECBINFHSA-N
MW225.24 g/mol
LogP0.44
Rot. Bonds4

About methyl (2R)-2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate

methyl (2R)-2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate (PubChem CID 171238032) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is methyl (2R)-2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate
PubChem CID171238032
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Namemethyl (2R)-2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate
SMILESCOC(=O)[C@H](N)Cc1cc(OC)ccc1O
InChIInChI=1S/C11H15NO4/c1-15-8-3-4-10(13)7(5-8)6-9(12)11(14)16-2/h3-5,9,13H,6,12H2,1-2H3/t9-/m1/s1
InChIKeyIUZMOAMXFOYOJH-SECBINFHSA-N
XLogP0.44
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate
CID 62962945
methyl 2-amino-3-(2,4,5-trihydroxyphenyl)propanoate
CID 170883293
methyl 2-amino-3-(2-hydroxy-5-methoxy-3-methylphenyl)propanoate
CID 170884303
methyl 2-amino-3-(5-bromo-4-fluoro-2-hydroxyphenyl)propanoate
CID 170884169
methyl (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)propanoate
CID 171238349
methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride
CID 162332781
ethyl 2-amino-3-(2,5-dimethoxyphenyl)propanoate
CID 4284804
methyl 2-amino-3-(4-hydroxy-3-iodophenyl)propanoate;hydrochloride
CID 19873283
methyl (2S)-2-amino-3-(4-hydroxy-2-methylphenyl)propanoate
CID 20846170
methyl 2-amino-3-(3-amino-4-hydroxyphenyl)propanoate
CID 86019498
methyl (2R)-2-amino-3-(4-hydroxy-2-methylphenyl)propanoate
CID 15730454
methyl 2-amino-3-(5-methoxy-1H-indol-2-yl)propanoate
CID 68805241

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate?
The IUPAC name of methyl (2R)-2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate (CID 171238032) is methyl (2R)-2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate.
What is the SMILES notation for methyl (2R)-2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate?
The canonical SMILES for methyl (2R)-2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate is COC(=O)[C@H](N)Cc1cc(OC)ccc1O.
What is the InChIKey of methyl (2R)-2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate?
The InChIKey is IUZMOAMXFOYOJH-SECBINFHSA-N. The full InChI is InChI=1S/C11H15NO4/c1-15-8-3-4-10(13)7(5-8)6-9(12)11(14)16-2/h3-5,9,13H,6,12H2,1-2H3/t9-/m1/s1.
What are the key properties of methyl (2R)-2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate?
methyl (2R)-2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate has a molecular weight of 225.24 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate is sourced from PubChem (CID 171238032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).