2-(dimethylamino)-2-(4-methoxy-2,3-dimethylphenyl)acetic acid

C13H19NO3 — CID 82476697

IUPAC2-(dimethylamino)-2-(4-methoxy-2,3-dimethylphenyl)acetic acid
SMILESCOc1ccc(C(C(=O)O)N(C)C)c(C)c1C
InChIInChI=1S/C13H19NO3/c1-8-9(2)11(17-5)7-6-10(8)12(13(15)16)14(3)4/h6-7,12H,1-5H3,(H,15,16)
InChIKeyVEINEYSUAQXWLY-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.00
Rot. Bonds4

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

2-(dimethylamino)-2-(4-methoxy-2,3-dimethylphenyl)acetic acid (PubChem CID 82476697) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(4-methoxy-2,3-dimethylphenyl)acetic acid.

Molecular Properties

Compound Name2-(dimethylamino)-2-(4-methoxy-2,3-dimethylphenyl)acetic acid
PubChem CID82476697
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-(dimethylamino)-2-(4-methoxy-2,3-dimethylphenyl)acetic acid
SMILESCOc1ccc(C(C(=O)O)N(C)C)c(C)c1C
InChIInChI=1S/C13H19NO3/c1-8-9(2)11(17-5)7-6-10(8)12(13(15)16)14(3)4/h6-7,12H,1-5H3,(H,15,16)
InChIKeyVEINEYSUAQXWLY-UHFFFAOYSA-N
XLogP2.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(dimethylamino)-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid
CID 116911478
4-(dimethylamino)-4-(4-methoxy-2,3-dimethylphenyl)butanoic acid
CID 112519687
1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylethanamine
CID 116914636
2-(dimethylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid
CID 82481256
1-methoxy-1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylmethanamine
CID 116914495
1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 116906021
3-cyclopropyl-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid
CID 82296370
2-[(4-methoxy-2,3-dimethylphenyl)methyl]propanedioic acid
CID 170895399
2-(dimethylamino)-2-(2-methoxy-4,6-dimethylphenyl)acetic acid
CID 82476708
2-(2-hydroxy-4-methoxy-3-sulfooxyphenyl)propanoic acid
CID 131837699
1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diol
CID 82281981
2-(4-methoxy-2,3-dimethylphenyl)propan-1-ol
CID 117284779

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(4-methoxy-2,3-dimethylphenyl)acetic acid?
The IUPAC name of 2-(dimethylamino)-2-(4-methoxy-2,3-dimethylphenyl)acetic acid (CID 82476697) is 2-(dimethylamino)-2-(4-methoxy-2,3-dimethylphenyl)acetic acid.
What is the SMILES notation for 2-(dimethylamino)-2-(4-methoxy-2,3-dimethylphenyl)acetic acid?
The canonical SMILES for 2-(dimethylamino)-2-(4-methoxy-2,3-dimethylphenyl)acetic acid is COc1ccc(C(C(=O)O)N(C)C)c(C)c1C.
What is the InChIKey of 2-(dimethylamino)-2-(4-methoxy-2,3-dimethylphenyl)acetic acid?
The InChIKey is VEINEYSUAQXWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-8-9(2)11(17-5)7-6-10(8)12(13(15)16)14(3)4/h6-7,12H,1-5H3,(H,15,16).
What are the key properties of 2-(dimethylamino)-2-(4-methoxy-2,3-dimethylphenyl)acetic acid?
2-(dimethylamino)-2-(4-methoxy-2,3-dimethylphenyl)acetic acid has a molecular weight of 237.30 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(4-methoxy-2,3-dimethylphenyl)acetic acid is sourced from PubChem (CID 82476697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).