3-amino-2-(2-methoxy-4-methylphenoxy)propanoic acid

C11H15NO4 — CID 64694661

IUPAC3-amino-2-(2-methoxy-4-methylphenoxy)propanoic acid
SMILESCOc1cc(C)ccc1OC(CN)C(=O)O
InChIInChI=1S/C11H15NO4/c1-7-3-4-8(9(5-7)15-2)16-10(6-12)11(13)14/h3-5,10H,6,12H2,1-2H3,(H,13,14)
InChIKeyWMUIFDSZURHJBR-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.79
Rot. Bonds5

About 3-amino-2-(2-methoxy-4-methylphenoxy)propanoic acid

3-amino-2-(2-methoxy-4-methylphenoxy)propanoic acid (PubChem CID 64694661) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 3-amino-2-(2-methoxy-4-methylphenoxy)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(2-methoxy-4-methylphenoxy)propanoic acid
PubChem CID64694661
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name3-amino-2-(2-methoxy-4-methylphenoxy)propanoic acid
SMILESCOc1cc(C)ccc1OC(CN)C(=O)O
InChIInChI=1S/C11H15NO4/c1-7-3-4-8(9(5-7)15-2)16-10(6-12)11(13)14/h3-5,10H,6,12H2,1-2H3,(H,13,14)
InChIKeyWMUIFDSZURHJBR-UHFFFAOYSA-N
XLogP0.79
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxy-4-methylphenoxy)butanehydrazide
CID 63576549
2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine
CID 55017730
(2-methoxy-4-methylphenyl) 3-aminopropanoate
CID 94256158
3,3,3-trifluoro-2-(2-methoxy-4-methylphenoxy)propan-1-amine
CID 43752910
2-amino-4-(2-methoxy-4-methylphenoxy)-4-methylpentanoic acid
CID 116821176
methyl 3-(2-methoxy-4-methylphenoxy)butanoate
CID 43536054
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]butanoic acid
CID 78996903
2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]butanoic acid
CID 64662178
(2S)-2-(3,5-dimethylphenoxy)-3-(2-methoxy-5-methylphenyl)propanoic acid
CID 100546610
2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]pentanoic acid
CID 83037676
(2S)-3-(2-methoxy-5-methylphenyl)-2-propan-2-yloxypropanoic acid
CID 100546925
4-(1-carboxybutoxy)-3-methoxybenzoic acid
CID 83041356

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-methoxy-4-methylphenoxy)propanoic acid?
The IUPAC name of 3-amino-2-(2-methoxy-4-methylphenoxy)propanoic acid (CID 64694661) is 3-amino-2-(2-methoxy-4-methylphenoxy)propanoic acid.
What is the SMILES notation for 3-amino-2-(2-methoxy-4-methylphenoxy)propanoic acid?
The canonical SMILES for 3-amino-2-(2-methoxy-4-methylphenoxy)propanoic acid is COc1cc(C)ccc1OC(CN)C(=O)O.
What is the InChIKey of 3-amino-2-(2-methoxy-4-methylphenoxy)propanoic acid?
The InChIKey is WMUIFDSZURHJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-7-3-4-8(9(5-7)15-2)16-10(6-12)11(13)14/h3-5,10H,6,12H2,1-2H3,(H,13,14).
What are the key properties of 3-amino-2-(2-methoxy-4-methylphenoxy)propanoic acid?
3-amino-2-(2-methoxy-4-methylphenoxy)propanoic acid has a molecular weight of 225.24 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-methoxy-4-methylphenoxy)propanoic acid is sourced from PubChem (CID 64694661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).