3-amino-2-[2-hydroxy-3-(methoxymethyl)phenyl]propanoic acid

C11H15NO4 — CID 117323019

IUPAC3-amino-2-[2-hydroxy-3-(methoxymethyl)phenyl]propanoic acid
SMILESCOCc1cccc(C(CN)C(=O)O)c1O
InChIInChI=1S/C11H15NO4/c1-16-6-7-3-2-4-8(10(7)13)9(5-12)11(14)15/h2-4,9,13H,5-6,12H2,1H3,(H,14,15)
InChIKeyXLRIALUIKYNHSH-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.67
Rot. Bonds5

About 3-amino-2-[2-hydroxy-3-(methoxymethyl)phenyl]propanoic acid

3-amino-2-[2-hydroxy-3-(methoxymethyl)phenyl]propanoic acid (PubChem CID 117323019) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 3-amino-2-[2-hydroxy-3-(methoxymethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-amino-2-[2-hydroxy-3-(methoxymethyl)phenyl]propanoic acid
PubChem CID117323019
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name3-amino-2-[2-hydroxy-3-(methoxymethyl)phenyl]propanoic acid
SMILESCOCc1cccc(C(CN)C(=O)O)c1O
InChIInChI=1S/C11H15NO4/c1-16-6-7-3-2-4-8(10(7)13)9(5-12)11(14)15/h2-4,9,13H,5-6,12H2,1H3,(H,14,15)
InChIKeyXLRIALUIKYNHSH-UHFFFAOYSA-N
XLogP0.67
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-[2-fluoro-3-(methoxymethyl)phenyl]propanoic acid
CID 117326599
3-amino-2-(2-hydroxy-3-methoxyphenyl)propanoic acid
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2-(1-aminopropan-2-yl)-6-(methoxymethyl)phenol
CID 83879383
3-amino-2-(3-ethyl-2-methoxyphenyl)propanoic acid
CID 117319647
3-amino-2-[2,4-dimethoxy-5-(methoxymethyl)phenyl]propanoic acid
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3-amino-2-(3-methoxy-2-methylphenyl)propanoic acid
CID 115005834
3-amino-2-[3-(difluoromethyl)-2-methoxyphenyl]propanoic acid
CID 117364253
3-amino-2-[2,6-difluoro-3-(methoxymethyl)phenyl]propanoic acid
CID 117364248
3-amino-2-[5-bromo-2-fluoro-3-(methoxymethyl)phenyl]propanoic acid
CID 117491139
3-amino-2-(3-hydroxy-2-methylsulfonylphenyl)propanoic acid
CID 117401487
[2,6-bis(methoxymethyl)phenyl]methanamine;hydrochloride
CID 19835696
2-(2-acetamido-3-methoxyphenyl)-3-aminopropanoic acid
CID 117383613

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[2-hydroxy-3-(methoxymethyl)phenyl]propanoic acid?
The IUPAC name of 3-amino-2-[2-hydroxy-3-(methoxymethyl)phenyl]propanoic acid (CID 117323019) is 3-amino-2-[2-hydroxy-3-(methoxymethyl)phenyl]propanoic acid.
What is the SMILES notation for 3-amino-2-[2-hydroxy-3-(methoxymethyl)phenyl]propanoic acid?
The canonical SMILES for 3-amino-2-[2-hydroxy-3-(methoxymethyl)phenyl]propanoic acid is COCc1cccc(C(CN)C(=O)O)c1O.
What is the InChIKey of 3-amino-2-[2-hydroxy-3-(methoxymethyl)phenyl]propanoic acid?
The InChIKey is XLRIALUIKYNHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-16-6-7-3-2-4-8(10(7)13)9(5-12)11(14)15/h2-4,9,13H,5-6,12H2,1H3,(H,14,15).
What are the key properties of 3-amino-2-[2-hydroxy-3-(methoxymethyl)phenyl]propanoic acid?
3-amino-2-[2-hydroxy-3-(methoxymethyl)phenyl]propanoic acid has a molecular weight of 225.24 g/mol, XLogP of 0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[2-hydroxy-3-(methoxymethyl)phenyl]propanoic acid is sourced from PubChem (CID 117323019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).