(4-methoxyphenyl)methyl (2S)-2-amino-3-hydroxypropanoate

C11H15NO4 — CID 61303513

IUPAC(4-methoxyphenyl)methyl (2S)-2-amino-3-hydroxypropanoate
SMILESCOc1ccc(COC(=O)[C@@H](N)CO)cc1
InChIInChI=1S/C11H15NO4/c1-15-9-4-2-8(3-5-9)7-16-11(14)10(12)6-13/h2-5,10,13H,6-7,12H2,1H3/t10-/m0/s1
InChIKeyBRRKGEWHKPJXBW-JTQLQIEISA-N
MW225.24 g/mol
LogP0.06
Rot. Bonds5

About (4-methoxyphenyl)methyl (2S)-2-amino-3-hydroxypropanoate

(4-methoxyphenyl)methyl (2S)-2-amino-3-hydroxypropanoate (PubChem CID 61303513) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl (2S)-2-amino-3-hydroxypropanoate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl (2S)-2-amino-3-hydroxypropanoate
PubChem CID61303513
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name(4-methoxyphenyl)methyl (2S)-2-amino-3-hydroxypropanoate
SMILESCOc1ccc(COC(=O)[C@@H](N)CO)cc1
InChIInChI=1S/C11H15NO4/c1-15-9-4-2-8(3-5-9)7-16-11(14)10(12)6-13/h2-5,10,13H,6-7,12H2,1H3/t10-/m0/s1
InChIKeyBRRKGEWHKPJXBW-JTQLQIEISA-N
XLogP0.06
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxyphenyl)methyl 2-amino-3-sulfanylpropanoate
CID 61304102
(4-methoxyphenyl)methyl (2S)-2-amino-4-methylpentanoate
CID 61303711
bis[(4-methoxyphenyl)methyl] 2-aminopentanedioate;hydrochloride
CID 155891056
(4-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
CID 14760384
(4-methoxyphenyl)methyl 2-amino-4-methylsulfanylbutanoate
CID 61302709
(4-methoxyphenyl)methyl 2-amino-3,3-dimethylbutanoate
CID 61304700
(4-methoxyphenyl)methyl 2-amino-2-cyclopropylacetate
CID 62695261
(4-methoxyphenyl)methyl silylformate
CID 123289214
(4-methoxyphenyl)methoxymethanethioic S-acid
CID 139442271
(4-methoxyphenyl)methyl 2-(aminomethyl)-3-methylbutanoate
CID 65217996
(4-methoxyphenyl)methyl 3-hydroxy-2-thiophen-2-ylpropanoate
CID 68960165
(2R)-3-hydroxy-2-[(4-methoxyphenyl)methoxycarbonylamino]propanoic acid
CID 18611397

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl (2S)-2-amino-3-hydroxypropanoate?
The IUPAC name of (4-methoxyphenyl)methyl (2S)-2-amino-3-hydroxypropanoate (CID 61303513) is (4-methoxyphenyl)methyl (2S)-2-amino-3-hydroxypropanoate.
What is the SMILES notation for (4-methoxyphenyl)methyl (2S)-2-amino-3-hydroxypropanoate?
The canonical SMILES for (4-methoxyphenyl)methyl (2S)-2-amino-3-hydroxypropanoate is COc1ccc(COC(=O)[C@@H](N)CO)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl (2S)-2-amino-3-hydroxypropanoate?
The InChIKey is BRRKGEWHKPJXBW-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO4/c1-15-9-4-2-8(3-5-9)7-16-11(14)10(12)6-13/h2-5,10,13H,6-7,12H2,1H3/t10-/m0/s1.
What are the key properties of (4-methoxyphenyl)methyl (2S)-2-amino-3-hydroxypropanoate?
(4-methoxyphenyl)methyl (2S)-2-amino-3-hydroxypropanoate has a molecular weight of 225.24 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl (2S)-2-amino-3-hydroxypropanoate is sourced from PubChem (CID 61303513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).