2-(dimethylamino)-4-methyl-2-phenylpentanoic acid

C14H21NO2 — CID 43803067

IUPAC2-(dimethylamino)-4-methyl-2-phenylpentanoic acid
SMILESCC(C)CC(C(=O)O)(c1ccccc1)N(C)C
InChIInChI=1S/C14H21NO2/c1-11(2)10-14(13(16)17,15(3)4)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,16,17)
InChIKeyCQRCYKLDAKCWIY-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.57
Rot. Bonds5

About 2-(dimethylamino)-4-methyl-2-phenylpentanoic acid

2-(dimethylamino)-4-methyl-2-phenylpentanoic acid (PubChem CID 43803067) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(dimethylamino)-4-methyl-2-phenylpentanoic acid.

Molecular Properties

Compound Name2-(dimethylamino)-4-methyl-2-phenylpentanoic acid
PubChem CID43803067
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(dimethylamino)-4-methyl-2-phenylpentanoic acid
SMILESCC(C)CC(C(=O)O)(c1ccccc1)N(C)C
InChIInChI=1S/C14H21NO2/c1-11(2)10-14(13(16)17,15(3)4)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,16,17)
InChIKeyCQRCYKLDAKCWIY-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(methyl)amino]-2-phenylbutanoic acid
CID 63701928
2-(dichloroamino)-2-phenylbutanoic acid
CID 87554429
2-[methyl(2-methylpropyl)amino]-2-phenylpropanoic acid
CID 114992186
2-[ethyl(methyl)amino]-2-phenylpentanoic acid
CID 114992182
2-(dimethylamino)-2,2-diphenylacetic acid
CID 175762255
ethyl 3-(dimethylamino)-5-methyl-3-phenylhexanoate
CID 64542234
2-(ethylamino)-4-methyl-2-phenylpentanoic acid
CID 43753793
4-methyl-2-(2-methylpropylamino)-2-phenylpentanoic acid
CID 61002300
(2S)-2-(dimethylamino)-2-phenylpropanoic acid
CID 51374247
2-(dimethylamino)-2-phenylpropanoic acid
CID 3613790
2-[acetyl(ethyl)amino]-2-phenylbutanoic acid
CID 63701693
2-methyl-4-[methyl(2-methylpropyl)amino]-4-oxo-2-phenylbutanoic acid
CID 43437622

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-methyl-2-phenylpentanoic acid?
The IUPAC name of 2-(dimethylamino)-4-methyl-2-phenylpentanoic acid (CID 43803067) is 2-(dimethylamino)-4-methyl-2-phenylpentanoic acid.
What is the SMILES notation for 2-(dimethylamino)-4-methyl-2-phenylpentanoic acid?
The canonical SMILES for 2-(dimethylamino)-4-methyl-2-phenylpentanoic acid is CC(C)CC(C(=O)O)(c1ccccc1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-4-methyl-2-phenylpentanoic acid?
The InChIKey is CQRCYKLDAKCWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(2)10-14(13(16)17,15(3)4)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,16,17).
What are the key properties of 2-(dimethylamino)-4-methyl-2-phenylpentanoic acid?
2-(dimethylamino)-4-methyl-2-phenylpentanoic acid has a molecular weight of 235.33 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-methyl-2-phenylpentanoic acid is sourced from PubChem (CID 43803067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).