2-(diethylamino)-3-methyl-2-phenylbutanoic acid

C15H23NO2 — CID 61340321

IUPAC2-(diethylamino)-3-methyl-2-phenylbutanoic acid
SMILESCCN(CC)C(C(=O)O)(c1ccccc1)C(C)C
InChIInChI=1S/C15H23NO2/c1-5-16(6-2)15(12(3)4,14(17)18)13-10-8-7-9-11-13/h7-12H,5-6H2,1-4H3,(H,17,18)
InChIKeyHUGMNNOKNMKLFH-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.96
Rot. Bonds6

About 2-(diethylamino)-3-methyl-2-phenylbutanoic acid

2-(diethylamino)-3-methyl-2-phenylbutanoic acid (PubChem CID 61340321) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(diethylamino)-3-methyl-2-phenylbutanoic acid.

Molecular Properties

Compound Name2-(diethylamino)-3-methyl-2-phenylbutanoic acid
PubChem CID61340321
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-(diethylamino)-3-methyl-2-phenylbutanoic acid
SMILESCCN(CC)C(C(=O)O)(c1ccccc1)C(C)C
InChIInChI=1S/C15H23NO2/c1-5-16(6-2)15(12(3)4,14(17)18)13-10-8-7-9-11-13/h7-12H,5-6H2,1-4H3,(H,17,18)
InChIKeyHUGMNNOKNMKLFH-UHFFFAOYSA-N
XLogP2.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(propan-2-yl)amino]-3-methyl-2-phenylbutanoic acid
CID 63704049
2-[formyl(methyl)amino]-3-methyl-2-phenylbutanoic acid
CID 55234413
2-[ethyl-(2-hydroxy-2-phenylpropyl)amino]-2-methylpropanoic acid
CID 62820426
2-ethoxy-3-methyl-2-phenylbutanoic acid
CID 15450552
2-[ethyl(methyl)amino]-2-phenylpentanoic acid
CID 114992182
2-ethyl-6-methyl-2-phenylheptanoic acid
CID 83158043
2-(ethylamino)-4-methyl-2-phenylpentanoic acid
CID 43753793
2-(dimethylamino)-2,2-diphenylacetic acid
CID 175762255
lithium;sodium;hydride;2-phenyl-2-propan-2-ylpropanedioic acid
CID 174968652
2-carbonochloridoyl-2-phenylbutanoic acid
CID 82254336
3-ethyl-2-methyl-2-phenylpentanoic acid
CID 158698282
lithium;sodium;2-ethyl-2-phenylpropanedioic acid;hydride
CID 174967816

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-3-methyl-2-phenylbutanoic acid?
The IUPAC name of 2-(diethylamino)-3-methyl-2-phenylbutanoic acid (CID 61340321) is 2-(diethylamino)-3-methyl-2-phenylbutanoic acid.
What is the SMILES notation for 2-(diethylamino)-3-methyl-2-phenylbutanoic acid?
The canonical SMILES for 2-(diethylamino)-3-methyl-2-phenylbutanoic acid is CCN(CC)C(C(=O)O)(c1ccccc1)C(C)C.
What is the InChIKey of 2-(diethylamino)-3-methyl-2-phenylbutanoic acid?
The InChIKey is HUGMNNOKNMKLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-16(6-2)15(12(3)4,14(17)18)13-10-8-7-9-11-13/h7-12H,5-6H2,1-4H3,(H,17,18).
What are the key properties of 2-(diethylamino)-3-methyl-2-phenylbutanoic acid?
2-(diethylamino)-3-methyl-2-phenylbutanoic acid has a molecular weight of 249.35 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-3-methyl-2-phenylbutanoic acid is sourced from PubChem (CID 61340321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).