2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxy-N,N-dimethylpropanamide

C11H16N2O4 — CID 76683329

IUPAC2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxy-N,N-dimethylpropanamide
SMILESCN(C)C(=O)C(N)C(O)c1ccc(O)c(O)c1
InChIInChI=1S/C11H16N2O4/c1-13(2)11(17)9(12)10(16)6-3-4-7(14)8(15)5-6/h3-5,9-10,14-16H,12H2,1-2H3
InChIKeyRLZGIPDSXNXSCM-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.45
Rot. Bonds3

About 2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxy-N,N-dimethylpropanamide

2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxy-N,N-dimethylpropanamide (PubChem CID 76683329) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxy-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxy-N,N-dimethylpropanamide
PubChem CID76683329
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxy-N,N-dimethylpropanamide
SMILESCN(C)C(=O)C(N)C(O)c1ccc(O)c(O)c1
InChIInChI=1S/C11H16N2O4/c1-13(2)11(17)9(12)10(16)6-3-4-7(14)8(15)5-6/h3-5,9-10,14-16H,12H2,1-2H3
InChIKeyRLZGIPDSXNXSCM-UHFFFAOYSA-N
XLogP-0.45
TPSA107.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoate
CID 70351176
sodium;(2S,3S)-2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid;hydride
CID 173371497
(2-ethoxy-2-oxoethyl) (2S)-2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoate
CID 70351136
3-(3,4-dihydroxyphenyl)-2-[ethyl(methyl)amino]-3-hydroxypropanoic acid
CID 14070860
ethyl (2S)-3-(3,4-dihydroxyphenyl)-3-hydroxy-2-[methyl(propyl)amino]propanoate
CID 139626816
4-(1-amino-2-methylpropyl)benzene-1,2-diol
CID 55283190
methyl (2R,3S)-3-(3,4-dihydroxyphenyl)-3-hydroxy-2-(methylamino)propanoate
CID 14030167
methyl (2S,3R)-3-(3,4-dihydroxyphenyl)-3-hydroxy-2-(methylamino)propanoate
CID 10331898
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid;piperidine-1-carboxamide
CID 18609847
4-[(1R)-1-amino-2,2-dimethylpropyl]benzene-1,2-diol;hydrochloride
CID 171245558
[(1S,2S)-1-(3,4-dihydroxyphenyl)-1-hydroxypropan-2-yl]azanium
CID 6919631
4-[(1S)-1-amino-2,2-dimethylpropyl]benzene-1,2-diol;hydrochloride
CID 171238841

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxy-N,N-dimethylpropanamide?
The IUPAC name of 2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxy-N,N-dimethylpropanamide (CID 76683329) is 2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxy-N,N-dimethylpropanamide.
What is the SMILES notation for 2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxy-N,N-dimethylpropanamide?
The canonical SMILES for 2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxy-N,N-dimethylpropanamide is CN(C)C(=O)C(N)C(O)c1ccc(O)c(O)c1.
What is the InChIKey of 2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxy-N,N-dimethylpropanamide?
The InChIKey is RLZGIPDSXNXSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-13(2)11(17)9(12)10(16)6-3-4-7(14)8(15)5-6/h3-5,9-10,14-16H,12H2,1-2H3.
What are the key properties of 2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxy-N,N-dimethylpropanamide?
2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxy-N,N-dimethylpropanamide has a molecular weight of 240.26 g/mol, XLogP of -0.45, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxy-N,N-dimethylpropanamide is sourced from PubChem (CID 76683329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).