2-amino-2-(3,4-dimethoxyphenyl)propanoic acid;hydrochloride

C11H16ClNO4 — CID 82133157

IUPAC2-amino-2-(3,4-dimethoxyphenyl)propanoic acid;hydrochloride
SMILESCOc1ccc(C(C)(N)C(=O)O)cc1OC.Cl
InChIInChI=1S/C11H15NO4.ClH/c1-11(12,10(13)14)7-4-5-8(15-2)9(6-7)16-3;/h4-6H,12H2,1-3H3,(H,13,14);1H
InChIKeyYHHYZEFXBDQDGX-UHFFFAOYSA-N
MW261.70 g/mol
LogP1.38
Rot. Bonds4

About 2-amino-2-(3,4-dimethoxyphenyl)propanoic acid;hydrochloride

2-amino-2-(3,4-dimethoxyphenyl)propanoic acid;hydrochloride (PubChem CID 82133157) has the molecular formula C11H16ClNO4 and a molecular weight of 261.70 g/mol. Its IUPAC name is 2-amino-2-(3,4-dimethoxyphenyl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(3,4-dimethoxyphenyl)propanoic acid;hydrochloride
PubChem CID82133157
Molecular FormulaC11H16ClNO4
Molecular Weight261.70 g/mol
Exact Mass261.08
IUPAC Name2-amino-2-(3,4-dimethoxyphenyl)propanoic acid;hydrochloride
SMILESCOc1ccc(C(C)(N)C(=O)O)cc1OC.Cl
InChIInChI=1S/C11H15NO4.ClH/c1-11(12,10(13)14)7-4-5-8(15-2)9(6-7)16-3;/h4-6H,12H2,1-3H3,(H,13,14);1H
InChIKeyYHHYZEFXBDQDGX-UHFFFAOYSA-N
XLogP1.38
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.70
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 82098466
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2-amino-2-(3,4-dimethoxyphenyl)butanoic acid
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2-amino-2-(3,4-dimethylphenyl)propanoic acid
CID 24711823
(2S)-2-amino-2-[3,4-di(propanoyloxy)phenyl]propanoic acid
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2-amino-2-(3-methoxyphenyl)propanoic acid
CID 4018837
2-(3,4-dimethoxyphenyl)-2,4-dimethylpentanoic acid
CID 112519730
(2S)-2-amino-2-(3,4-dichlorophenyl)propanoic acid;hydrochloride
CID 68715954
2-amino-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
CID 110459405
2-(diethylamino)-2-(3,4-dimethoxyphenyl)propanoic acid
CID 43803665
2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenylpropanamide
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CID 82129155

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3,4-dimethoxyphenyl)propanoic acid;hydrochloride?
The IUPAC name of 2-amino-2-(3,4-dimethoxyphenyl)propanoic acid;hydrochloride (CID 82133157) is 2-amino-2-(3,4-dimethoxyphenyl)propanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-2-(3,4-dimethoxyphenyl)propanoic acid;hydrochloride?
The canonical SMILES for 2-amino-2-(3,4-dimethoxyphenyl)propanoic acid;hydrochloride is COc1ccc(C(C)(N)C(=O)O)cc1OC.Cl.
What is the InChIKey of 2-amino-2-(3,4-dimethoxyphenyl)propanoic acid;hydrochloride?
The InChIKey is YHHYZEFXBDQDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4.ClH/c1-11(12,10(13)14)7-4-5-8(15-2)9(6-7)16-3;/h4-6H,12H2,1-3H3,(H,13,14);1H.
What are the key properties of 2-amino-2-(3,4-dimethoxyphenyl)propanoic acid;hydrochloride?
2-amino-2-(3,4-dimethoxyphenyl)propanoic acid;hydrochloride has a molecular weight of 261.70 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3,4-dimethoxyphenyl)propanoic acid;hydrochloride is sourced from PubChem (CID 82133157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).