(2R)-2-amino-2-phenylbutanoic acid

C10H13NO2 — CID 716481

IUPAC(2R)-2-amino-2-phenylbutanoic acid
SMILESCC[C@](N)(C(=O)O)c1ccccc1
InChIInChI=1S/C10H13NO2/c1-2-10(11,9(12)13)8-6-4-3-5-7-8/h3-7H,2,11H2,1H3,(H,12,13)/t10-/m1/s1
InChIKeyUBXUDSPYIGPGGP-SNVBAGLBSA-N
MW179.22 g/mol
LogP1.34
Rot. Bonds3

About (2R)-2-amino-2-phenylbutanoic acid

(2R)-2-amino-2-phenylbutanoic acid (PubChem CID 716481) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (2R)-2-amino-2-phenylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-phenylbutanoic acid
PubChem CID716481
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(2R)-2-amino-2-phenylbutanoic acid
SMILESCC[C@](N)(C(=O)O)c1ccccc1
InChIInChI=1S/C10H13NO2/c1-2-10(11,9(12)13)8-6-4-3-5-7-8/h3-7H,2,11H2,1H3,(H,12,13)/t10-/m1/s1
InChIKeyUBXUDSPYIGPGGP-SNVBAGLBSA-N
XLogP1.34
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-phenylbutanoic acid?
The IUPAC name of (2R)-2-amino-2-phenylbutanoic acid (CID 716481) is (2R)-2-amino-2-phenylbutanoic acid.
What is the SMILES notation for (2R)-2-amino-2-phenylbutanoic acid?
The canonical SMILES for (2R)-2-amino-2-phenylbutanoic acid is CC[C@](N)(C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-amino-2-phenylbutanoic acid?
The InChIKey is UBXUDSPYIGPGGP-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H13NO2/c1-2-10(11,9(12)13)8-6-4-3-5-7-8/h3-7H,2,11H2,1H3,(H,12,13)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-2-phenylbutanoic acid?
(2R)-2-amino-2-phenylbutanoic acid has a molecular weight of 179.22 g/mol, XLogP of 1.34, 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-phenylbutanoic acid is sourced from PubChem (CID 716481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).