2-methyl-2-(2-methylbutylamino)-3-phenylpropanoic acid

C15H23NO2 — CID 114992828

IUPAC2-methyl-2-(2-methylbutylamino)-3-phenylpropanoic acid
SMILESCCC(C)CNC(C)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H23NO2/c1-4-12(2)11-16-15(3,14(17)18)10-13-8-6-5-7-9-13/h5-9,12,16H,4,10-11H2,1-3H3,(H,17,18)
InChIKeyWPUZLBUKFQSCRI-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.71
Rot. Bonds7

About 2-methyl-2-(2-methylbutylamino)-3-phenylpropanoic acid

2-methyl-2-(2-methylbutylamino)-3-phenylpropanoic acid (PubChem CID 114992828) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-methyl-2-(2-methylbutylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-methyl-2-(2-methylbutylamino)-3-phenylpropanoic acid
PubChem CID114992828
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-methyl-2-(2-methylbutylamino)-3-phenylpropanoic acid
SMILESCCC(C)CNC(C)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H23NO2/c1-4-12(2)11-16-15(3,14(17)18)10-13-8-6-5-7-9-13/h5-9,12,16H,4,10-11H2,1-3H3,(H,17,18)
InChIKeyWPUZLBUKFQSCRI-UHFFFAOYSA-N
XLogP2.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(pentan-2-ylamino)-3-phenylpropanoic acid
CID 114992820
(2S)-2-(hydroxyamino)-2-methyl-3-phenylpropanoic acid
CID 88787436
2-methyl-3-phenyl-2-(prop-2-enylamino)propanoic acid
CID 114988665
(2S)-2-methyl-2-(methylamino)-3-phenylpropanoic acid;hydrochloride
CID 66988599
2-[3-(dimethylamino)propylamino]-2-methyl-3-phenylpropanoic acid
CID 71564969
2-(3-methoxypropylamino)-2-methyl-3-phenylpropanoic acid
CID 71564959
2-(cyclopropylamino)-2-methyl-3-phenylpropanoic acid
CID 114988664
2-(2-methylbutylamino)-2-phenylpropan-1-ol
CID 115687949
2-[butan-2-yl(methyl)amino]-2-methyl-3-phenylpropanoic acid
CID 114992824
(2S)-3-(4-hydroxyphenyl)-2-methyl-2-(propylamino)propanoic acid
CID 141089524
2-methyl-3-phenyl-2-(propylamino)propanamide
CID 114988742
(2R)-2-[[(2S)-2-amino-2-methyl-3-phenylpropanoyl]amino]-2-methyl-3-phenylpropanoic acid
CID 134918907

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylbutylamino)-3-phenylpropanoic acid?
The IUPAC name of 2-methyl-2-(2-methylbutylamino)-3-phenylpropanoic acid (CID 114992828) is 2-methyl-2-(2-methylbutylamino)-3-phenylpropanoic acid.
What is the SMILES notation for 2-methyl-2-(2-methylbutylamino)-3-phenylpropanoic acid?
The canonical SMILES for 2-methyl-2-(2-methylbutylamino)-3-phenylpropanoic acid is CCC(C)CNC(C)(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-methyl-2-(2-methylbutylamino)-3-phenylpropanoic acid?
The InChIKey is WPUZLBUKFQSCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-12(2)11-16-15(3,14(17)18)10-13-8-6-5-7-9-13/h5-9,12,16H,4,10-11H2,1-3H3,(H,17,18).
What are the key properties of 2-methyl-2-(2-methylbutylamino)-3-phenylpropanoic acid?
2-methyl-2-(2-methylbutylamino)-3-phenylpropanoic acid has a molecular weight of 249.35 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylbutylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 114992828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).