3-amino-3-(4-methoxy-2,5-dimethylphenyl)-2-methylpropanoic acid

C13H19NO3 — CID 116938026

IUPAC3-amino-3-(4-methoxy-2,5-dimethylphenyl)-2-methylpropanoic acid
SMILESCOc1cc(C)c(C(N)C(C)C(=O)O)cc1C
InChIInChI=1S/C13H19NO3/c1-7-6-11(17-4)8(2)5-10(7)12(14)9(3)13(15)16/h5-6,9,12H,14H2,1-4H3,(H,15,16)
InChIKeyOPVPZXONAXYGOU-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.03
Rot. Bonds4

About 3-amino-3-(4-methoxy-2,5-dimethylphenyl)-2-methylpropanoic acid

3-amino-3-(4-methoxy-2,5-dimethylphenyl)-2-methylpropanoic acid (PubChem CID 116938026) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-amino-3-(4-methoxy-2,5-dimethylphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-amino-3-(4-methoxy-2,5-dimethylphenyl)-2-methylpropanoic acid
PubChem CID116938026
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-amino-3-(4-methoxy-2,5-dimethylphenyl)-2-methylpropanoic acid
SMILESCOc1cc(C)c(C(N)C(C)C(=O)O)cc1C
InChIInChI=1S/C13H19NO3/c1-7-6-11(17-4)8(2)5-10(7)12(14)9(3)13(15)16/h5-6,9,12H,14H2,1-4H3,(H,15,16)
InChIKeyOPVPZXONAXYGOU-UHFFFAOYSA-N
XLogP2.03
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-3-(4-methoxy-2,5-dimethylphenyl)-2-methylpropanoic acid 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

2-[amino-(2-methoxy-4,5-dimethylphenyl)methyl]-3-methylbutanoic acid
CID 116945187
4-amino-4-(4-methoxy-2,5-dimethylphenyl)-2-methylbutanoic acid
CID 116938400
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 59272895
2-amino-3-(4-methoxy-2,5-dimethylphenyl)-3-(methylamino)propanoic acid
CID 116957354
3-amino-3-(2-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid
CID 116938050
2-(4-methoxy-2,5-dimethylphenyl)-4-methylpentanoic acid
CID 82087442
3-amino-3-(2,5-difluoro-4-methoxyphenyl)-2-methylpropanoic acid
CID 116938095
3-amino-3-(4-methoxy-2,5-dimethylphenyl)propanamide
CID 116850930
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 93182220
2-amino-2-(4-methoxy-2,5-dimethylphenyl)acetohydrazide
CID 116848433
2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)acetic acid
CID 83839387
2-(2-hydroxy-4-methoxy-5-methylphenyl)propanoic acid
CID 117300178

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-methoxy-2,5-dimethylphenyl)-2-methylpropanoic acid?
The IUPAC name of 3-amino-3-(4-methoxy-2,5-dimethylphenyl)-2-methylpropanoic acid (CID 116938026) is 3-amino-3-(4-methoxy-2,5-dimethylphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-amino-3-(4-methoxy-2,5-dimethylphenyl)-2-methylpropanoic acid?
The canonical SMILES for 3-amino-3-(4-methoxy-2,5-dimethylphenyl)-2-methylpropanoic acid is COc1cc(C)c(C(N)C(C)C(=O)O)cc1C.
What is the InChIKey of 3-amino-3-(4-methoxy-2,5-dimethylphenyl)-2-methylpropanoic acid?
The InChIKey is OPVPZXONAXYGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-7-6-11(17-4)8(2)5-10(7)12(14)9(3)13(15)16/h5-6,9,12H,14H2,1-4H3,(H,15,16).
What are the key properties of 3-amino-3-(4-methoxy-2,5-dimethylphenyl)-2-methylpropanoic acid?
3-amino-3-(4-methoxy-2,5-dimethylphenyl)-2-methylpropanoic acid has a molecular weight of 237.30 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-methoxy-2,5-dimethylphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 116938026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).