2-(dimethylamino)-2-(2-methoxy-4,6-dimethylphenyl)acetic acid

C13H19NO3 — CID 82476708

IUPAC2-(dimethylamino)-2-(2-methoxy-4,6-dimethylphenyl)acetic acid
SMILESCOc1cc(C)cc(C)c1C(C(=O)O)N(C)C
InChIInChI=1S/C13H19NO3/c1-8-6-9(2)11(10(7-8)17-5)12(13(15)16)14(3)4/h6-7,12H,1-5H3,(H,15,16)
InChIKeyGKLCNCFOKFUIEW-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.00
Rot. Bonds4

About 2-(dimethylamino)-2-(2-methoxy-4,6-dimethylphenyl)acetic acid

2-(dimethylamino)-2-(2-methoxy-4,6-dimethylphenyl)acetic acid (PubChem CID 82476708) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(2-methoxy-4,6-dimethylphenyl)acetic acid.

Molecular Properties

Compound Name2-(dimethylamino)-2-(2-methoxy-4,6-dimethylphenyl)acetic acid
PubChem CID82476708
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-(dimethylamino)-2-(2-methoxy-4,6-dimethylphenyl)acetic acid
SMILESCOc1cc(C)cc(C)c1C(C(=O)O)N(C)C
InChIInChI=1S/C13H19NO3/c1-8-6-9(2)11(10(7-8)17-5)12(13(15)16)14(3)4/h6-7,12H,1-5H3,(H,15,16)
InChIKeyGKLCNCFOKFUIEW-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

methyl 2-(dimethylamino)-2-(2,4,6-trimethylphenyl)acetate
CID 116857090
2-(2-methoxy-4,6-dimethylphenyl)hexanoic acid
CID 106681199
2-methoxy-2-(2,4,6-trimethylphenyl)acetic acid
CID 15709414
(2-methoxy-4,6-dimethylphenyl)-methylcarbamic acid
CID 115170774
ethyl 2-amino-2-(2-methoxy-4,6-dimethylphenyl)acetate
CID 3904081
2-amino-3-(dimethylamino)-3-(2-methoxy-4,6-dimethylphenyl)propan-1-ol
CID 116911605
(2R)-2-(2,6-dimethoxy-4-methylphenyl)-2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]acetic acid
CID 97201575
4-amino-4-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethylbutanoic acid
CID 116938518
2-(dimethylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid
CID 82481256
2-(dimethylamino)-2-(4-methoxy-2,3-dimethylphenyl)acetic acid
CID 82476697
1-(2-methoxy-4,6-dimethylphenyl)-2,3-dimethylbutan-1-ol
CID 106682562
2-amino-2-(2-methoxy-4,6-dimethylphenyl)ethanol
CID 77129779

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(2-methoxy-4,6-dimethylphenyl)acetic acid?
The IUPAC name of 2-(dimethylamino)-2-(2-methoxy-4,6-dimethylphenyl)acetic acid (CID 82476708) is 2-(dimethylamino)-2-(2-methoxy-4,6-dimethylphenyl)acetic acid.
What is the SMILES notation for 2-(dimethylamino)-2-(2-methoxy-4,6-dimethylphenyl)acetic acid?
The canonical SMILES for 2-(dimethylamino)-2-(2-methoxy-4,6-dimethylphenyl)acetic acid is COc1cc(C)cc(C)c1C(C(=O)O)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-(2-methoxy-4,6-dimethylphenyl)acetic acid?
The InChIKey is GKLCNCFOKFUIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-8-6-9(2)11(10(7-8)17-5)12(13(15)16)14(3)4/h6-7,12H,1-5H3,(H,15,16).
What are the key properties of 2-(dimethylamino)-2-(2-methoxy-4,6-dimethylphenyl)acetic acid?
2-(dimethylamino)-2-(2-methoxy-4,6-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-(2-methoxy-4,6-dimethylphenyl)acetic acid is sourced from PubChem (CID 82476708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).