2-amino-2-methyl-3-phenylpropanoic acid;hydrochloride

C10H14ClNO2 — CID 54609152

IUPAC2-amino-2-methyl-3-phenylpropanoic acid;hydrochloride
SMILESCC(N)(Cc1ccccc1)C(=O)O.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-10(11,9(12)13)7-8-5-3-2-4-6-8;/h2-6H,7,11H2,1H3,(H,12,13);1H
InChIKeyKKRHZNOGXJPKDW-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.45
Rot. Bonds3

About 2-amino-2-methyl-3-phenylpropanoic acid;hydrochloride

2-amino-2-methyl-3-phenylpropanoic acid;hydrochloride (PubChem CID 54609152) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-amino-2-methyl-3-phenylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-3-phenylpropanoic acid;hydrochloride
PubChem CID54609152
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name2-amino-2-methyl-3-phenylpropanoic acid;hydrochloride
SMILESCC(N)(Cc1ccccc1)C(=O)O.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-10(11,9(12)13)7-8-5-3-2-4-6-8;/h2-6H,7,11H2,1H3,(H,12,13);1H
InChIKeyKKRHZNOGXJPKDW-UHFFFAOYSA-N
XLogP1.45
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-3-phenylpropanoic acid;hydrochloride?
The IUPAC name of 2-amino-2-methyl-3-phenylpropanoic acid;hydrochloride (CID 54609152) is 2-amino-2-methyl-3-phenylpropanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-2-methyl-3-phenylpropanoic acid;hydrochloride?
The canonical SMILES for 2-amino-2-methyl-3-phenylpropanoic acid;hydrochloride is CC(N)(Cc1ccccc1)C(=O)O.Cl.
What is the InChIKey of 2-amino-2-methyl-3-phenylpropanoic acid;hydrochloride?
The InChIKey is KKRHZNOGXJPKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.ClH/c1-10(11,9(12)13)7-8-5-3-2-4-6-8;/h2-6H,7,11H2,1H3,(H,12,13);1H.
What are the key properties of 2-amino-2-methyl-3-phenylpropanoic acid;hydrochloride?
2-amino-2-methyl-3-phenylpropanoic acid;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-3-phenylpropanoic acid;hydrochloride is sourced from PubChem (CID 54609152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).