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

C11H15NO3 — CID 22339839

IUPAC3-amino-2-(4-methoxy-3-methylphenyl)propanoic acid
SMILESCOc1ccc(C(CN)C(=O)O)cc1C
InChIInChI=1S/C11H15NO3/c1-7-5-8(3-4-10(7)15-2)9(6-12)11(13)14/h3-5,9H,6,12H2,1-2H3,(H,13,14)
InChIKeyKIKBMINUWMWPES-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.13
Rot. Bonds4

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

3-amino-2-(4-methoxy-3-methylphenyl)propanoic acid (PubChem CID 22339839) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 3-amino-2-(4-methoxy-3-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(4-methoxy-3-methylphenyl)propanoic acid
PubChem CID22339839
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name3-amino-2-(4-methoxy-3-methylphenyl)propanoic acid
SMILESCOc1ccc(C(CN)C(=O)O)cc1C
InChIInChI=1S/C11H15NO3/c1-7-5-8(3-4-10(7)15-2)9(6-12)11(13)14/h3-5,9H,6,12H2,1-2H3,(H,13,14)
InChIKeyKIKBMINUWMWPES-UHFFFAOYSA-N
XLogP1.13
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(3-methoxy-4,5-dimethylphenyl)propanoic acid
CID 117319642
3-amino-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 82394258
3-amino-2-(4-chloro-3-methylphenyl)propanoic acid
CID 83835403
3-amino-2-(4-cyclopropyloxy-3-methoxyphenyl)propanoic acid
CID 117381015
4-[2-carboxy-2-(4-methoxy-3-methylphenyl)ethyl]benzoic acid
CID 83955750
3-amino-2-(3-cyclopentyl-4-methoxyphenyl)propanoic acid
CID 117412953
3-(3,4-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)propanoic acid
CID 83955360
(1S)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
CID 55278362
2-(4-methoxy-3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 83951802
methyl (2R)-2-amino-2-(4-methoxy-3-methylphenyl)acetate;hydrochloride
CID 171233347
3-amino-2-(3-hydroxy-4-methoxy-5-methylphenyl)propanoic acid
CID 117323026
3-amino-1-(dimethylamino)-1-(4-methoxy-3-methylphenyl)propan-2-ol
CID 116911674

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-methoxy-3-methylphenyl)propanoic acid?
The IUPAC name of 3-amino-2-(4-methoxy-3-methylphenyl)propanoic acid (CID 22339839) is 3-amino-2-(4-methoxy-3-methylphenyl)propanoic acid.
What is the SMILES notation for 3-amino-2-(4-methoxy-3-methylphenyl)propanoic acid?
The canonical SMILES for 3-amino-2-(4-methoxy-3-methylphenyl)propanoic acid is COc1ccc(C(CN)C(=O)O)cc1C.
What is the InChIKey of 3-amino-2-(4-methoxy-3-methylphenyl)propanoic acid?
The InChIKey is KIKBMINUWMWPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7-5-8(3-4-10(7)15-2)9(6-12)11(13)14/h3-5,9H,6,12H2,1-2H3,(H,13,14).
What are the key properties of 3-amino-2-(4-methoxy-3-methylphenyl)propanoic acid?
3-amino-2-(4-methoxy-3-methylphenyl)propanoic acid has a molecular weight of 209.24 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-methoxy-3-methylphenyl)propanoic acid is sourced from PubChem (CID 22339839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).