methyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate

C11H15NO3 — CID 10703616

IUPACmethyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate
SMILESCOC(=O)[C@@H](N)Cc1ccccc1OC
InChIInChI=1S/C11H15NO3/c1-14-10-6-4-3-5-8(10)7-9(12)11(13)15-2/h3-6,9H,7,12H2,1-2H3/t9-/m0/s1
InChIKeyPZFPLOLENVKUCA-VIFPVBQESA-N
MW209.24 g/mol
LogP0.74
Rot. Bonds4

About methyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate

methyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate (PubChem CID 10703616) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is methyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate
PubChem CID10703616
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Namemethyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate
SMILESCOC(=O)[C@@H](N)Cc1ccccc1OC
InChIInChI=1S/C11H15NO3/c1-14-10-6-4-3-5-8(10)7-9(12)11(13)15-2/h3-6,9H,7,12H2,1-2H3/t9-/m0/s1
InChIKeyPZFPLOLENVKUCA-VIFPVBQESA-N
XLogP0.74
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-amino-3-(2-iodophenyl)propanoate
CID 20706036
methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate
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methyl 2-[(2S)-2-amino-3-methoxy-3-oxopropyl]benzoate
CID 171238353
methyl (2S)-2-amino-3-[2-(2-ethylphenyl)phenyl]propanoate
CID 90931571
methyl 2-[(2R)-2-amino-3-methoxy-3-oxopropyl]benzoate
CID 151281011
methyl (2R)-2-amino-3-(2-fluorophenyl)propanoate;hydrochloride
CID 69489037
methyl (2S)-2-[1-(2-methoxyphenyl)propan-2-ylamino]propanoate
CID 43786749
methyl (2S)-2-amino-3-[2-(difluoromethyl)phenyl]propanoate
CID 171238597
3-amino-4-[1-(2-methoxyphenyl)propan-2-ylamino]-4-oxobutanoic acid
CID 64896685
2-(aminomethyl)-3-(2-methoxyphenyl)-N-methylpropanamide
CID 62096110
methyl (2R)-2-amino-3-[2-(cyclopropylmethyl)phenyl]propanoate
CID 143152114
methyl 2-amino-3-(3-bromo-2-hydroxyphenyl)propanoate
CID 170883663

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate?
The IUPAC name of methyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate (CID 10703616) is methyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate.
What is the SMILES notation for methyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate?
The canonical SMILES for methyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate is COC(=O)[C@@H](N)Cc1ccccc1OC.
What is the InChIKey of methyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate?
The InChIKey is PZFPLOLENVKUCA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15NO3/c1-14-10-6-4-3-5-8(10)7-9(12)11(13)15-2/h3-6,9H,7,12H2,1-2H3/t9-/m0/s1.
What are the key properties of methyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate?
methyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate has a molecular weight of 209.24 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate is sourced from PubChem (CID 10703616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).