2-[ethyl(methyl)amino]-2-phenylpentanoic acid

C14H21NO2 — CID 114992182

IUPAC2-[ethyl(methyl)amino]-2-phenylpentanoic acid
SMILESCCCC(C(=O)O)(c1ccccc1)N(C)CC
InChIInChI=1S/C14H21NO2/c1-4-11-14(13(16)17,15(3)5-2)12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3,(H,16,17)
InChIKeyZWPXFNJWZFZNHC-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.72
Rot. Bonds6

About 2-[ethyl(methyl)amino]-2-phenylpentanoic acid

2-[ethyl(methyl)amino]-2-phenylpentanoic acid (PubChem CID 114992182) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[ethyl(methyl)amino]-2-phenylpentanoic acid.

Molecular Properties

Compound Name2-[ethyl(methyl)amino]-2-phenylpentanoic acid
PubChem CID114992182
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[ethyl(methyl)amino]-2-phenylpentanoic acid
SMILESCCCC(C(=O)O)(c1ccccc1)N(C)CC
InChIInChI=1S/C14H21NO2/c1-4-11-14(13(16)17,15(3)5-2)12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3,(H,16,17)
InChIKeyZWPXFNJWZFZNHC-UHFFFAOYSA-N
XLogP2.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropyl(formyl)amino]-2-phenylpentanoic acid
CID 63687261
2-[acetyl(methyl)amino]-2-phenylbutanoic acid
CID 63701928
2-(dichloroamino)-2-phenylbutanoic acid
CID 87554429
2-[acetyl(ethyl)amino]-2-phenylbutanoic acid
CID 63701693
2-(dimethylamino)-4-methyl-2-phenylpentanoic acid
CID 43803067
2-(dimethylamino)-2,2-diphenylacetic acid
CID 175762255
(3S)-3-methyl-3-phenylhexan-2-one
CID 54421490
2-(diethylamino)-3-methyl-2-phenylbutanoic acid
CID 61340321
(2S)-2-[ethyl(methyl)amino]-2-methyl-3-phenylpropanoic acid
CID 91206478
2-imidazol-1-yl-2-phenylpentanoic acid
CID 114994268
4-methylsulfanyl-2-phenyl-2-(N-phenylanilino)butanoic acid
CID 68797503
calcium;hydride;2-methyl-2-phenylhexanoic acid
CID 175225013

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)amino]-2-phenylpentanoic acid?
The IUPAC name of 2-[ethyl(methyl)amino]-2-phenylpentanoic acid (CID 114992182) is 2-[ethyl(methyl)amino]-2-phenylpentanoic acid.
What is the SMILES notation for 2-[ethyl(methyl)amino]-2-phenylpentanoic acid?
The canonical SMILES for 2-[ethyl(methyl)amino]-2-phenylpentanoic acid is CCCC(C(=O)O)(c1ccccc1)N(C)CC.
What is the InChIKey of 2-[ethyl(methyl)amino]-2-phenylpentanoic acid?
The InChIKey is ZWPXFNJWZFZNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-11-14(13(16)17,15(3)5-2)12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3,(H,16,17).
What are the key properties of 2-[ethyl(methyl)amino]-2-phenylpentanoic acid?
2-[ethyl(methyl)amino]-2-phenylpentanoic acid has a molecular weight of 235.33 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)amino]-2-phenylpentanoic acid is sourced from PubChem (CID 114992182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).