2-amino-4-methyl-4-phenylpentanoic acid

C12H17NO2 — CID 11287233

IUPAC2-amino-4-methyl-4-phenylpentanoic acid
SMILESCC(C)(CC(N)C(=O)O)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-12(2,8-10(13)11(14)15)9-6-4-3-5-7-9/h3-7,10H,8,13H2,1-2H3,(H,14,15)
InChIKeyZQEAZBAUXRRNBW-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.77
Rot. Bonds4

About 2-amino-4-methyl-4-phenylpentanoic acid

2-amino-4-methyl-4-phenylpentanoic acid (PubChem CID 11287233) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-amino-4-methyl-4-phenylpentanoic acid.

Molecular Properties

Compound Name2-amino-4-methyl-4-phenylpentanoic acid
PubChem CID11287233
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-amino-4-methyl-4-phenylpentanoic acid
SMILESCC(C)(CC(N)C(=O)O)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-12(2,8-10(13)11(14)15)9-6-4-3-5-7-9/h3-7,10H,8,13H2,1-2H3,(H,14,15)
InChIKeyZQEAZBAUXRRNBW-UHFFFAOYSA-N
XLogP1.77
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6,8-tetramethyl-2,8-diphenylnonan-5-one
CID 150218147
(2R)-2-amino-4,4-difluoro-4-phenylbutanoic acid
CID 106702814
(3S)-3-amino-4-methyl-4-phenylpentan-2-one
CID 138709724
(2R)-4-methyl-4-phenylpentan-2-ol
CID 69029171
(3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one
CID 122674877
(2R)-2,4-dimethyl-4-phenylpentan-1-amine
CID 42077880
[(2S)-4-methyl-1-oxo-4-phenylpentan-2-yl] carbamate
CID 87659192
methyl (2S)-2-[(4-methyl-4-phenylpentan-2-yl)amino]propanoate
CID 43786736
methyl 2-[(4-methyl-4-phenylpentan-2-yl)amino]propanoate
CID 60781932
(2-methyl-2-phenylpropyl) hydrogen carbonate
CID 150979314
2,3,3,5-tetramethyl-5-phenylhexanoic acid
CID 147319190
(2S)-2-amino-N-(2-methyl-2-phenylpropyl)pentanamide
CID 93398886

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-4-phenylpentanoic acid?
The IUPAC name of 2-amino-4-methyl-4-phenylpentanoic acid (CID 11287233) is 2-amino-4-methyl-4-phenylpentanoic acid.
What is the SMILES notation for 2-amino-4-methyl-4-phenylpentanoic acid?
The canonical SMILES for 2-amino-4-methyl-4-phenylpentanoic acid is CC(C)(CC(N)C(=O)O)c1ccccc1.
What is the InChIKey of 2-amino-4-methyl-4-phenylpentanoic acid?
The InChIKey is ZQEAZBAUXRRNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(2,8-10(13)11(14)15)9-6-4-3-5-7-9/h3-7,10H,8,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-4-methyl-4-phenylpentanoic acid?
2-amino-4-methyl-4-phenylpentanoic acid has a molecular weight of 207.27 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-4-phenylpentanoic acid is sourced from PubChem (CID 11287233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).