3-(dimethylamino)-4-methoxy-2,2-dimethylbutanoic acid

C9H19NO3 — CID 144576589

IUPAC3-(dimethylamino)-4-methoxy-2,2-dimethylbutanoic acid
SMILESCOCC(N(C)C)C(C)(C)C(=O)O
InChIInChI=1S/C9H19NO3/c1-9(2,8(11)12)7(6-13-5)10(3)4/h7H,6H2,1-5H3,(H,11,12)
InChIKeyBJPRDKFZSXVXRW-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.67
Rot. Bonds5

About 3-(dimethylamino)-4-methoxy-2,2-dimethylbutanoic acid

3-(dimethylamino)-4-methoxy-2,2-dimethylbutanoic acid (PubChem CID 144576589) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 3-(dimethylamino)-4-methoxy-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name3-(dimethylamino)-4-methoxy-2,2-dimethylbutanoic acid
PubChem CID144576589
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name3-(dimethylamino)-4-methoxy-2,2-dimethylbutanoic acid
SMILESCOCC(N(C)C)C(C)(C)C(=O)O
InChIInChI=1S/C9H19NO3/c1-9(2,8(11)12)7(6-13-5)10(3)4/h7H,6H2,1-5H3,(H,11,12)
InChIKeyBJPRDKFZSXVXRW-UHFFFAOYSA-N
XLogP0.67
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-4-methoxy-2,2-dimethylbutanoic acid?
The IUPAC name of 3-(dimethylamino)-4-methoxy-2,2-dimethylbutanoic acid (CID 144576589) is 3-(dimethylamino)-4-methoxy-2,2-dimethylbutanoic acid.
What is the SMILES notation for 3-(dimethylamino)-4-methoxy-2,2-dimethylbutanoic acid?
The canonical SMILES for 3-(dimethylamino)-4-methoxy-2,2-dimethylbutanoic acid is COCC(N(C)C)C(C)(C)C(=O)O.
What is the InChIKey of 3-(dimethylamino)-4-methoxy-2,2-dimethylbutanoic acid?
The InChIKey is BJPRDKFZSXVXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-9(2,8(11)12)7(6-13-5)10(3)4/h7H,6H2,1-5H3,(H,11,12).
What are the key properties of 3-(dimethylamino)-4-methoxy-2,2-dimethylbutanoic acid?
3-(dimethylamino)-4-methoxy-2,2-dimethylbutanoic acid has a molecular weight of 189.25 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-4-methoxy-2,2-dimethylbutanoic acid is sourced from PubChem (CID 144576589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).