2-amino-3-(dimethylamino)-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid

C14H22N2O3 — CID 116911478

IUPAC2-amino-3-(dimethylamino)-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid
SMILESCOc1ccc(C(C(N)C(=O)O)N(C)C)c(C)c1C
InChIInChI=1S/C14H22N2O3/c1-8-9(2)11(19-5)7-6-10(8)13(16(3)4)12(15)14(17)18/h6-7,12-13H,15H2,1-5H3,(H,17,18)
InChIKeyBFUZRALCORGETE-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.33
Rot. Bonds5

About 2-amino-3-(dimethylamino)-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid

2-amino-3-(dimethylamino)-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid (PubChem CID 116911478) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-amino-3-(dimethylamino)-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(dimethylamino)-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid
PubChem CID116911478
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-amino-3-(dimethylamino)-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid
SMILESCOc1ccc(C(C(N)C(=O)O)N(C)C)c(C)c1C
InChIInChI=1S/C14H22N2O3/c1-8-9(2)11(19-5)7-6-10(8)13(16(3)4)12(15)14(17)18/h6-7,12-13H,15H2,1-5H3,(H,17,18)
InChIKeyBFUZRALCORGETE-UHFFFAOYSA-N
XLogP1.33
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-2-(4-methoxy-2,3-dimethylphenyl)acetic acid
CID 82476697
2-amino-3-(dimethylamino)-3-(4-methoxy-3-methylphenyl)propanoic acid
CID 116911440
2-amino-3-(2,4-dimethoxy-3-methylphenyl)-3-(methylamino)propanoic acid
CID 116957379
4-(dimethylamino)-4-(4-methoxy-2,3-dimethylphenyl)butanoic acid
CID 112519687
1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylethanamine
CID 116914636
1-methoxy-1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylmethanamine
CID 116914495
2-[amino-(2,4-dimethoxy-3-methylphenyl)methyl]butanoic acid
CID 116945089
3-[dimethylamino-(4-methoxy-2,3-dimethylphenyl)methyl]cyclobutan-1-amine
CID 116907317
1-amino-1-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-2-ol
CID 116942110
3-cyclopropyl-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid
CID 82296370
2-(4-methoxy-2,3-dimethylphenyl)propan-1-ol
CID 117284779
3-amino-3-(3,4-dimethoxy-2-methylphenyl)propanoic acid
CID 117350574

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(dimethylamino)-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(dimethylamino)-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid (CID 116911478) is 2-amino-3-(dimethylamino)-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(dimethylamino)-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(dimethylamino)-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid is COc1ccc(C(C(N)C(=O)O)N(C)C)c(C)c1C.
What is the InChIKey of 2-amino-3-(dimethylamino)-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid?
The InChIKey is BFUZRALCORGETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-8-9(2)11(19-5)7-6-10(8)13(16(3)4)12(15)14(17)18/h6-7,12-13H,15H2,1-5H3,(H,17,18).
What are the key properties of 2-amino-3-(dimethylamino)-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid?
2-amino-3-(dimethylamino)-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid has a molecular weight of 266.34 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(dimethylamino)-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid is sourced from PubChem (CID 116911478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).