2-(dimethylamino)-2-phenylbutanoic acid

C12H17NO2 — CID 3020848

IUPAC2-(dimethylamino)-2-phenylbutanoic acid
SMILESCCC(C(=O)O)(c1ccccc1)N(C)C
InChIInChI=1S/C12H17NO2/c1-4-12(11(14)15,13(2)3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3,(H,14,15)
InChIKeyHORDSXJPSRJTJV-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.94
Rot. Bonds4

About 2-(dimethylamino)-2-phenylbutanoic acid

2-(dimethylamino)-2-phenylbutanoic acid (PubChem CID 3020848) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(dimethylamino)-2-phenylbutanoic acid.

Molecular Properties

Compound Name2-(dimethylamino)-2-phenylbutanoic acid
PubChem CID3020848
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(dimethylamino)-2-phenylbutanoic acid
SMILESCCC(C(=O)O)(c1ccccc1)N(C)C
InChIInChI=1S/C12H17NO2/c1-4-12(11(14)15,13(2)3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3,(H,14,15)
InChIKeyHORDSXJPSRJTJV-UHFFFAOYSA-N
XLogP1.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-phenylbutanoic acid?
The IUPAC name of 2-(dimethylamino)-2-phenylbutanoic acid (CID 3020848) is 2-(dimethylamino)-2-phenylbutanoic acid.
What is the SMILES notation for 2-(dimethylamino)-2-phenylbutanoic acid?
The canonical SMILES for 2-(dimethylamino)-2-phenylbutanoic acid is CCC(C(=O)O)(c1ccccc1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-phenylbutanoic acid?
The InChIKey is HORDSXJPSRJTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-12(11(14)15,13(2)3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3,(H,14,15).
What are the key properties of 2-(dimethylamino)-2-phenylbutanoic acid?
2-(dimethylamino)-2-phenylbutanoic acid has a molecular weight of 207.27 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-phenylbutanoic acid is sourced from PubChem (CID 3020848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).