2-(N,2-dimethylanilino)-2-methylpentanoic acid

C14H21NO2 — CID 114992194

IUPAC2-(N,2-dimethylanilino)-2-methylpentanoic acid
SMILESCCCC(C)(C(=O)O)N(C)c1ccccc1C
InChIInChI=1S/C14H21NO2/c1-5-10-14(3,13(16)17)15(4)12-9-7-6-8-11(12)2/h6-9H,5,10H2,1-4H3,(H,16,17)
InChIKeyIPCMWSZROKWYLL-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.07
Rot. Bonds5

About 2-(N,2-dimethylanilino)-2-methylpentanoic acid

2-(N,2-dimethylanilino)-2-methylpentanoic acid (PubChem CID 114992194) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(N,2-dimethylanilino)-2-methylpentanoic acid.

Molecular Properties

Compound Name2-(N,2-dimethylanilino)-2-methylpentanoic acid
PubChem CID114992194
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(N,2-dimethylanilino)-2-methylpentanoic acid
SMILESCCCC(C)(C(=O)O)N(C)c1ccccc1C
InChIInChI=1S/C14H21NO2/c1-5-10-14(3,13(16)17)15(4)12-9-7-6-8-11(12)2/h6-9H,5,10H2,1-4H3,(H,16,17)
InChIKeyIPCMWSZROKWYLL-UHFFFAOYSA-N
XLogP3.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(N,2-dimethylanilino)-2-methylpentanoic acid?
The IUPAC name of 2-(N,2-dimethylanilino)-2-methylpentanoic acid (CID 114992194) is 2-(N,2-dimethylanilino)-2-methylpentanoic acid.
What is the SMILES notation for 2-(N,2-dimethylanilino)-2-methylpentanoic acid?
The canonical SMILES for 2-(N,2-dimethylanilino)-2-methylpentanoic acid is CCCC(C)(C(=O)O)N(C)c1ccccc1C.
What is the InChIKey of 2-(N,2-dimethylanilino)-2-methylpentanoic acid?
The InChIKey is IPCMWSZROKWYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-10-14(3,13(16)17)15(4)12-9-7-6-8-11(12)2/h6-9H,5,10H2,1-4H3,(H,16,17).
What are the key properties of 2-(N,2-dimethylanilino)-2-methylpentanoic acid?
2-(N,2-dimethylanilino)-2-methylpentanoic acid has a molecular weight of 235.33 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N,2-dimethylanilino)-2-methylpentanoic acid is sourced from PubChem (CID 114992194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).