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

C11H16ClNO2 — CID 70199608

IUPAC3-amino-3-methyl-2-phenylbutanoic acid;hydrochloride
SMILESCC(C)(N)C(C(=O)O)c1ccccc1.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-11(2,12)9(10(13)14)8-6-4-3-5-7-8;/h3-7,9H,12H2,1-2H3,(H,13,14);1H
InChIKeyMZASRDTVRPLBQK-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.01
Rot. Bonds3

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

3-amino-3-methyl-2-phenylbutanoic acid;hydrochloride (PubChem CID 70199608) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 3-amino-3-methyl-2-phenylbutanoic acid;hydrochloride.

Molecular Properties

Compound Name3-amino-3-methyl-2-phenylbutanoic acid;hydrochloride
PubChem CID70199608
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name3-amino-3-methyl-2-phenylbutanoic acid;hydrochloride
SMILESCC(C)(N)C(C(=O)O)c1ccccc1.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-11(2,12)9(10(13)14)8-6-4-3-5-7-8;/h3-7,9H,12H2,1-2H3,(H,13,14);1H
InChIKeyMZASRDTVRPLBQK-UHFFFAOYSA-N
XLogP2.01
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-methyl-2-naphthalen-2-ylbutanoic acid;hydrochloride
CID 70202945
(2R)-3-hydroxy-3-methyl-2-phenylbutanoic acid
CID 10559714
3,3-dichloro-2-phenylbutanoic acid
CID 22472453
3-methyl-3-(methylamino)-2-phenylbutanoic acid;hydrochloride
CID 70203026
2-phenylethane-1,1,1,2-tetracarboxylic acid
CID 69124313
3,3-dimethyl-5-oxo-2-phenylhexanoic acid
CID 54456459
(1S)-2-amino-2-methyl-1-phenylpropan-1-ol
CID 38988546
3-methyl-2,3-diphenylpentanedioic acid
CID 175851061
ethyl (2S)-3,3-dimethyl-2-phenylbutanoate
CID 66805498
(2R,3R)-2,3-diamino-2-methyl-3-phenylpropanoic acid
CID 24999684
2-phenylpropanoic acid;dihydrochloride
CID 162109025
2-(3-aminophenyl)-3,3-dimethylbutanoic acid
CID 151643541

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-2-phenylbutanoic acid;hydrochloride?
The IUPAC name of 3-amino-3-methyl-2-phenylbutanoic acid;hydrochloride (CID 70199608) is 3-amino-3-methyl-2-phenylbutanoic acid;hydrochloride.
What is the SMILES notation for 3-amino-3-methyl-2-phenylbutanoic acid;hydrochloride?
The canonical SMILES for 3-amino-3-methyl-2-phenylbutanoic acid;hydrochloride is CC(C)(N)C(C(=O)O)c1ccccc1.Cl.
What is the InChIKey of 3-amino-3-methyl-2-phenylbutanoic acid;hydrochloride?
The InChIKey is MZASRDTVRPLBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.ClH/c1-11(2,12)9(10(13)14)8-6-4-3-5-7-8;/h3-7,9H,12H2,1-2H3,(H,13,14);1H.
What are the key properties of 3-amino-3-methyl-2-phenylbutanoic acid;hydrochloride?
3-amino-3-methyl-2-phenylbutanoic acid;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-2-phenylbutanoic acid;hydrochloride is sourced from PubChem (CID 70199608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).