methyl (2S,3R)-2-amino-3-hydroxy-3-(2-methoxyphenyl)propanoate

C11H15NO4 — CID 11780290

IUPACmethyl (2S,3R)-2-amino-3-hydroxy-3-(2-methoxyphenyl)propanoate
SMILESCOC(=O)[C@@H](N)[C@H](O)c1ccccc1OC
InChIInChI=1S/C11H15NO4/c1-15-8-6-4-3-5-7(8)10(13)9(12)11(14)16-2/h3-6,9-10,13H,12H2,1-2H3/t9-,10+/m0/s1
InChIKeyBOIVTILRZBKMKY-VHSXEESVSA-N
MW225.24 g/mol
LogP0.23
Rot. Bonds4

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

methyl (2S,3R)-2-amino-3-hydroxy-3-(2-methoxyphenyl)propanoate (PubChem CID 11780290) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is methyl (2S,3R)-2-amino-3-hydroxy-3-(2-methoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl (2S,3R)-2-amino-3-hydroxy-3-(2-methoxyphenyl)propanoate
PubChem CID11780290
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Namemethyl (2S,3R)-2-amino-3-hydroxy-3-(2-methoxyphenyl)propanoate
SMILESCOC(=O)[C@@H](N)[C@H](O)c1ccccc1OC
InChIInChI=1S/C11H15NO4/c1-15-8-6-4-3-5-7(8)10(13)9(12)11(14)16-2/h3-6,9-10,13H,12H2,1-2H3/t9-,10+/m0/s1
InChIKeyBOIVTILRZBKMKY-VHSXEESVSA-N
XLogP0.23
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 ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl (2S,3R)-2-amino-3-hydroxy-3-(2-methoxyphenyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[hydroxy-(2-methoxyphenyl)methyl]-3-methylbutanoate
CID 62393869
(1S,2R)-2-amino-1-(2-methoxyphenyl)propan-1-ol
CID 15671931
methyl (2S)-2-(2-methoxyphenyl)propanoate
CID 12867082
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 81387944
methyl 3-(2-methoxyphenyl)-2-methylbutanoate
CID 121339404
methyl 2-aminooxy-2-(2-methoxyphenyl)acetate
CID 105464749
2-amino-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 60718632
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 81387938
methyl 3-hydroxy-2-(2-methoxyphenyl)propanoate
CID 117244498
methyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate
CID 81396743
(2S,3S)-2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylpentanamide
CID 81387074
(2S,3S)-2-amino-N-[1-(2-methoxyphenyl)ethyl]-3-methylpentanamide
CID 61260006

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-2-amino-3-hydroxy-3-(2-methoxyphenyl)propanoate?
The IUPAC name of methyl (2S,3R)-2-amino-3-hydroxy-3-(2-methoxyphenyl)propanoate (CID 11780290) is methyl (2S,3R)-2-amino-3-hydroxy-3-(2-methoxyphenyl)propanoate.
What is the SMILES notation for methyl (2S,3R)-2-amino-3-hydroxy-3-(2-methoxyphenyl)propanoate?
The canonical SMILES for methyl (2S,3R)-2-amino-3-hydroxy-3-(2-methoxyphenyl)propanoate is COC(=O)[C@@H](N)[C@H](O)c1ccccc1OC.
What is the InChIKey of methyl (2S,3R)-2-amino-3-hydroxy-3-(2-methoxyphenyl)propanoate?
The InChIKey is BOIVTILRZBKMKY-VHSXEESVSA-N. The full InChI is InChI=1S/C11H15NO4/c1-15-8-6-4-3-5-7(8)10(13)9(12)11(14)16-2/h3-6,9-10,13H,12H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of methyl (2S,3R)-2-amino-3-hydroxy-3-(2-methoxyphenyl)propanoate?
methyl (2S,3R)-2-amino-3-hydroxy-3-(2-methoxyphenyl)propanoate has a molecular weight of 225.24 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-2-amino-3-hydroxy-3-(2-methoxyphenyl)propanoate is sourced from PubChem (CID 11780290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).