(2R)-2-amino-3-(4-tert-butylphenyl)propanoic acid

C13H19NO2 — CID 7010710

IUPAC(2R)-2-amino-3-(4-tert-butylphenyl)propanoic acid
SMILESCC(C)(C)c1ccc(C[C@@H](N)C(=O)O)cc1
InChIInChI=1S/C13H19NO2/c1-13(2,3)10-6-4-9(5-7-10)8-11(14)12(15)16/h4-7,11H,8,14H2,1-3H3,(H,15,16)/t11-/m1/s1
InChIKeyCSJZKSXYLTYFPU-LLVKDONJSA-N
MW221.30 g/mol
LogP1.94
Rot. Bonds3

About (2R)-2-amino-3-(4-tert-butylphenyl)propanoic acid

(2R)-2-amino-3-(4-tert-butylphenyl)propanoic acid (PubChem CID 7010710) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-tert-butylphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-tert-butylphenyl)propanoic acid
PubChem CID7010710
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(2R)-2-amino-3-(4-tert-butylphenyl)propanoic acid
SMILESCC(C)(C)c1ccc(C[C@@H](N)C(=O)O)cc1
InChIInChI=1S/C13H19NO2/c1-13(2,3)10-6-4-9(5-7-10)8-11(14)12(15)16/h4-7,11H,8,14H2,1-3H3,(H,15,16)/t11-/m1/s1
InChIKeyCSJZKSXYLTYFPU-LLVKDONJSA-N
XLogP1.94
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

L-Phenylalanine
CID 6140
D-Phenylalanine
CID 71567
Dl-Phenylalanine
CID 994
Phenibut
CID 14113
p-Fluorophenylalanine
CID 4654
L-Phenylglycine
CID 99291
Endorphenyl
CID 6925665
Phenylglycine, D-
CID 70134
Ibuprofen Lysine
CID 9841440
2-Phenylglycine
CID 3866
DL-alpha-Methylphenylalanine
CID 108055
p-Boronophenylalanine
CID 53503

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-tert-butylphenyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(4-tert-butylphenyl)propanoic acid (CID 7010710) is (2R)-2-amino-3-(4-tert-butylphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(4-tert-butylphenyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(4-tert-butylphenyl)propanoic acid is CC(C)(C)c1ccc(C[C@@H](N)C(=O)O)cc1.
What is the InChIKey of (2R)-2-amino-3-(4-tert-butylphenyl)propanoic acid?
The InChIKey is CSJZKSXYLTYFPU-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(2,3)10-6-4-9(5-7-10)8-11(14)12(15)16/h4-7,11H,8,14H2,1-3H3,(H,15,16)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-3-(4-tert-butylphenyl)propanoic acid?
(2R)-2-amino-3-(4-tert-butylphenyl)propanoic acid has a molecular weight of 221.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-tert-butylphenyl)propanoic acid is sourced from PubChem (CID 7010710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).