3-amino-2-methyl-2-phenylbutanoic acid

C11H15NO2 — CID 67114284

IUPAC3-amino-2-methyl-2-phenylbutanoic acid
SMILESCC(N)C(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-8(12)11(2,10(13)14)9-6-4-3-5-7-9/h3-8H,12H2,1-2H3,(H,13,14)
InChIKeyJIHGDDXYANOXPI-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.38
Rot. Bonds3

About 3-amino-2-methyl-2-phenylbutanoic acid

3-amino-2-methyl-2-phenylbutanoic acid (PubChem CID 67114284) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-amino-2-methyl-2-phenylbutanoic acid.

Molecular Properties

Compound Name3-amino-2-methyl-2-phenylbutanoic acid
PubChem CID67114284
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-amino-2-methyl-2-phenylbutanoic acid
SMILESCC(N)C(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-8(12)11(2,10(13)14)9-6-4-3-5-7-9/h3-8H,12H2,1-2H3,(H,13,14)
InChIKeyJIHGDDXYANOXPI-UHFFFAOYSA-N
XLogP1.38
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2,3-dimethyl-2-phenylbutanoic acid
CID 143150739
3-amino-2-fluoro-2-phenylbutanoic acid
CID 67114338
3-ethyl-2-methyl-2-phenylpentanoic acid
CID 158698282
4-amino-3-bromo-3-phenylpentan-2-one
CID 174845533
(2S)-2-phenylbutane-2,3-diamine
CID 175403934
3-methyl-3-phenylbutan-2-amine;hydrochloride
CID 24841347
2-N,2-N,2-triphenylbutane-2,3-diamine
CID 67601655
(3S)-3-amino-4-methyl-4-phenylpentan-2-one
CID 138709724
(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858
ethane;2-hydroxy-2,2-diphenylacetic acid
CID 143307418
(2S)-1,1-diphenylpropane-1,2-diamine
CID 11172185
3-methoxy-2-methyl-2-phenylpentanoic acid
CID 175507222

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-2-phenylbutanoic acid?
The IUPAC name of 3-amino-2-methyl-2-phenylbutanoic acid (CID 67114284) is 3-amino-2-methyl-2-phenylbutanoic acid.
What is the SMILES notation for 3-amino-2-methyl-2-phenylbutanoic acid?
The canonical SMILES for 3-amino-2-methyl-2-phenylbutanoic acid is CC(N)C(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 3-amino-2-methyl-2-phenylbutanoic acid?
The InChIKey is JIHGDDXYANOXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8(12)11(2,10(13)14)9-6-4-3-5-7-9/h3-8H,12H2,1-2H3,(H,13,14).
What are the key properties of 3-amino-2-methyl-2-phenylbutanoic acid?
3-amino-2-methyl-2-phenylbutanoic acid has a molecular weight of 193.25 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-2-phenylbutanoic acid is sourced from PubChem (CID 67114284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).