2-(3-methylbutylamino)-2-phenylbutanoic acid

C15H23NO2 — CID 114992700

IUPAC2-(3-methylbutylamino)-2-phenylbutanoic acid
SMILESCCC(NCCC(C)C)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H23NO2/c1-4-15(14(17)18,16-11-10-12(2)3)13-8-6-5-7-9-13/h5-9,12,16H,4,10-11H2,1-3H3,(H,17,18)
InChIKeyBJUOXTMBPKOWRS-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.01
Rot. Bonds7

About 2-(3-methylbutylamino)-2-phenylbutanoic acid

2-(3-methylbutylamino)-2-phenylbutanoic acid (PubChem CID 114992700) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(3-methylbutylamino)-2-phenylbutanoic acid.

Molecular Properties

Compound Name2-(3-methylbutylamino)-2-phenylbutanoic acid
PubChem CID114992700
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-(3-methylbutylamino)-2-phenylbutanoic acid
SMILESCCC(NCCC(C)C)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H23NO2/c1-4-15(14(17)18,16-11-10-12(2)3)13-8-6-5-7-9-13/h5-9,12,16H,4,10-11H2,1-3H3,(H,17,18)
InChIKeyBJUOXTMBPKOWRS-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-2-(2,2,2-trifluoroethylamino)butanoic acid
CID 60997859
2-(ethylamino)-4-methyl-2-phenylpentanoic acid
CID 43753793
2-(4-methylphenyl)-2-(2-methylpropylamino)butanoic acid
CID 54894807
4-methyl-2-(2-methylpropylamino)-2-phenylpentanoic acid
CID 61002300
3-(4-hydroxybutan-2-ylsulfanyl)-2-phenyl-2-(propylamino)propanoic acid
CID 66137308
2-(3-fluorophenyl)-2-(2-methylpropylamino)butanoic acid
CID 114871982
2-(3-methylbutylamino)-2-phenylpropan-1-ol
CID 115619641
2-(4-methoxyphenyl)-2-(2-methylpropylamino)butanoic acid
CID 61002875
2-(3-chlorophenyl)-2-(propylamino)butanoic acid
CID 43754042
2-ethyl-6-methyl-2-phenylheptanoic acid
CID 83158043
2-(ethylamino)-4-(2-methylpropylsulfanyl)-2-phenylbutanoic acid
CID 116694462
2-(methylamino)-4-(4-methylpentoxy)-2-phenylbutanoic acid
CID 116694125

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylamino)-2-phenylbutanoic acid?
The IUPAC name of 2-(3-methylbutylamino)-2-phenylbutanoic acid (CID 114992700) is 2-(3-methylbutylamino)-2-phenylbutanoic acid.
What is the SMILES notation for 2-(3-methylbutylamino)-2-phenylbutanoic acid?
The canonical SMILES for 2-(3-methylbutylamino)-2-phenylbutanoic acid is CCC(NCCC(C)C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(3-methylbutylamino)-2-phenylbutanoic acid?
The InChIKey is BJUOXTMBPKOWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-15(14(17)18,16-11-10-12(2)3)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-(3-methylbutylamino)-2-phenylbutanoic acid?
2-(3-methylbutylamino)-2-phenylbutanoic acid has a molecular weight of 249.35 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutylamino)-2-phenylbutanoic acid is sourced from PubChem (CID 114992700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).