(2R)-2-amino-2-(4-methylphenyl)butanoic acid

C11H15NO2 — CID 7046915

IUPAC(2R)-2-amino-2-(4-methylphenyl)butanoic acid
SMILESCC[C@](N)(C(=O)O)c1ccc(C)cc1
InChIInChI=1S/C11H15NO2/c1-3-11(12,10(13)14)9-6-4-8(2)5-7-9/h4-7H,3,12H2,1-2H3,(H,13,14)/t11-/m1/s1
InChIKeyMYBFSVKNSGSJMH-LLVKDONJSA-N
MW193.25 g/mol
LogP1.64
Rot. Bonds3

About (2R)-2-amino-2-(4-methylphenyl)butanoic acid

(2R)-2-amino-2-(4-methylphenyl)butanoic acid (PubChem CID 7046915) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (2R)-2-amino-2-(4-methylphenyl)butanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(4-methylphenyl)butanoic acid
PubChem CID7046915
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(2R)-2-amino-2-(4-methylphenyl)butanoic acid
SMILESCC[C@](N)(C(=O)O)c1ccc(C)cc1
InChIInChI=1S/C11H15NO2/c1-3-11(12,10(13)14)9-6-4-8(2)5-7-9/h4-7H,3,12H2,1-2H3,(H,13,14)/t11-/m1/s1
InChIKeyMYBFSVKNSGSJMH-LLVKDONJSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(3-methylphenyl)butanoic acid
CID 83698226
2-amino-2-(3,4-dimethoxyphenyl)butanoic acid
CID 3996118
2-amino-2-(3-hydroxyphenyl)butanoic acid
CID 21079809
2-amino-2-(3-chlorophenyl)butanoic acid
CID 24690469
4-amino-4-phenylhexan-3-one
CID 67459117
2-amino-2-(4-bromophenyl)pentanoic acid
CID 83743848
2-methyl-2-(4-methylphenyl)propanedioic acid
CID 67424515
methyl 2-amino-2-(4-bromophenyl)butanoate
CID 60795428
3-hydroxy-3-(4-methylphenyl)pentanoic acid
CID 62395934
ethyl 2-amino-2-(4-methoxyphenyl)butanoate
CID 5027941
(2R)-2-hydroxy-2-(4-methylphenyl)propanoic acid
CID 21123439
2-amino-2-cyclopropyl-2-(4-methylphenyl)acetic acid
CID 5151318

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(4-methylphenyl)butanoic acid?
The IUPAC name of (2R)-2-amino-2-(4-methylphenyl)butanoic acid (CID 7046915) is (2R)-2-amino-2-(4-methylphenyl)butanoic acid.
What is the SMILES notation for (2R)-2-amino-2-(4-methylphenyl)butanoic acid?
The canonical SMILES for (2R)-2-amino-2-(4-methylphenyl)butanoic acid is CC[C@](N)(C(=O)O)c1ccc(C)cc1.
What is the InChIKey of (2R)-2-amino-2-(4-methylphenyl)butanoic acid?
The InChIKey is MYBFSVKNSGSJMH-LLVKDONJSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-11(12,10(13)14)9-6-4-8(2)5-7-9/h4-7H,3,12H2,1-2H3,(H,13,14)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-2-(4-methylphenyl)butanoic acid?
(2R)-2-amino-2-(4-methylphenyl)butanoic acid has a molecular weight of 193.25 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(4-methylphenyl)butanoic acid is sourced from PubChem (CID 7046915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).