2-(4-amino-2-methoxyphenyl)propanoic acid

C10H13NO3 — CID 141079881

IUPAC2-(4-amino-2-methoxyphenyl)propanoic acid
SMILESCOc1cc(N)ccc1C(C)C(=O)O
InChIInChI=1S/C10H13NO3/c1-6(10(12)13)8-4-3-7(11)5-9(8)14-2/h3-6H,11H2,1-2H3,(H,12,13)
InChIKeyOHXQDMAVROEJQY-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.47
Rot. Bonds3

About 2-(4-amino-2-methoxyphenyl)propanoic acid

2-(4-amino-2-methoxyphenyl)propanoic acid (PubChem CID 141079881) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(4-amino-2-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-amino-2-methoxyphenyl)propanoic acid
PubChem CID141079881
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-(4-amino-2-methoxyphenyl)propanoic acid
SMILESCOc1cc(N)ccc1C(C)C(=O)O
InChIInChI=1S/C10H13NO3/c1-6(10(12)13)8-4-3-7(11)5-9(8)14-2/h3-6H,11H2,1-2H3,(H,12,13)
InChIKeyOHXQDMAVROEJQY-UHFFFAOYSA-N
XLogP1.47
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-amino-1-(4-amino-2-methoxyphenyl)propan-2-ol
CID 130000790
4-(4-amino-2-methoxyphenyl)-3,4-dihydroxybutanamide
CID 171899304
(2R)-2-[(4-amino-2-methoxybenzoyl)amino]propanoic acid
CID 107207808
2-(5-fluoro-2-methoxyphenyl)propanoic acid
CID 79002336
3-(5-amino-2-methoxyphenyl)butanoic acid
CID 84676824
2-(2-ethoxy-4-methoxyphenyl)propanoic acid
CID 117321879
2-(2,5-dimethoxy-4-methylsulfanylphenyl)propanoic acid
CID 117394352
4-[(1S)-1-aminopropyl]-3-methoxyaniline
CID 130731352
2-(4,6-dimethoxynaphthalen-1-yl)propanoic acid
CID 131855492
2-(3-bromo-2,4-dimethoxyphenyl)propanoic acid
CID 84814609
2-(4,6-dimethoxy-3-pyridinyl)propanoic acid
CID 84781510
4-[(4-amino-2-methoxyphenyl)-[4-[4-[bis(4-amino-2-methoxyphenyl)methyl]phenyl]phenyl]methyl]-3-methoxyaniline
CID 146642834

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methoxyphenyl)propanoic acid?
The IUPAC name of 2-(4-amino-2-methoxyphenyl)propanoic acid (CID 141079881) is 2-(4-amino-2-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(4-amino-2-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-(4-amino-2-methoxyphenyl)propanoic acid is COc1cc(N)ccc1C(C)C(=O)O.
What is the InChIKey of 2-(4-amino-2-methoxyphenyl)propanoic acid?
The InChIKey is OHXQDMAVROEJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-6(10(12)13)8-4-3-7(11)5-9(8)14-2/h3-6H,11H2,1-2H3,(H,12,13).
What are the key properties of 2-(4-amino-2-methoxyphenyl)propanoic acid?
2-(4-amino-2-methoxyphenyl)propanoic acid has a molecular weight of 195.22 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methoxyphenyl)propanoic acid is sourced from PubChem (CID 141079881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).