2-amino-3-(4-hydroxyphenyl)propanoic acid;copper;2-pyridin-2-ylpyridine

C19H19CuN3O3 — CID 174728149

IUPAC2-amino-3-(4-hydroxyphenyl)propanoic acid;copper;2-pyridin-2-ylpyridine
SMILESNC(Cc1ccc(O)cc1)C(=O)O.[Cu].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.C9H11NO3.Cu/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;10-8(9(12)13)5-6-1-3-7(11)4-2-6;/h1-8H;1-4,8,11H,5,10H2,(H,12,13);
InChIKeyJEZAKZVRDBRADZ-UHFFFAOYSA-N
MW400.93 g/mol
LogP2.49
Rot. Bonds4

About 2-amino-3-(4-hydroxyphenyl)propanoic acid;copper;2-pyridin-2-ylpyridine

2-amino-3-(4-hydroxyphenyl)propanoic acid;copper;2-pyridin-2-ylpyridine (PubChem CID 174728149) has the molecular formula C19H19CuN3O3 and a molecular weight of 400.93 g/mol. Its IUPAC name is 2-amino-3-(4-hydroxyphenyl)propanoic acid;copper;2-pyridin-2-ylpyridine.

Molecular Properties

Compound Name2-amino-3-(4-hydroxyphenyl)propanoic acid;copper;2-pyridin-2-ylpyridine
PubChem CID174728149
Molecular FormulaC19H19CuN3O3
Molecular Weight400.93 g/mol
Exact Mass400.07
IUPAC Name2-amino-3-(4-hydroxyphenyl)propanoic acid;copper;2-pyridin-2-ylpyridine
SMILESNC(Cc1ccc(O)cc1)C(=O)O.[Cu].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.C9H11NO3.Cu/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;10-8(9(12)13)5-6-1-3-7(11)4-2-6;/h1-8H;1-4,8,11H,5,10H2,(H,12,13);
InChIKeyJEZAKZVRDBRADZ-UHFFFAOYSA-N
XLogP2.49
TPSA109.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.93
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfane
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CID 18402054
disodium;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrate
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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-hydroxyphenyl)propanoic acid;copper;2-pyridin-2-ylpyridine?
The IUPAC name of 2-amino-3-(4-hydroxyphenyl)propanoic acid;copper;2-pyridin-2-ylpyridine (CID 174728149) is 2-amino-3-(4-hydroxyphenyl)propanoic acid;copper;2-pyridin-2-ylpyridine.
What is the SMILES notation for 2-amino-3-(4-hydroxyphenyl)propanoic acid;copper;2-pyridin-2-ylpyridine?
The canonical SMILES for 2-amino-3-(4-hydroxyphenyl)propanoic acid;copper;2-pyridin-2-ylpyridine is NC(Cc1ccc(O)cc1)C(=O)O.[Cu].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 2-amino-3-(4-hydroxyphenyl)propanoic acid;copper;2-pyridin-2-ylpyridine?
The InChIKey is JEZAKZVRDBRADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.C9H11NO3.Cu/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;10-8(9(12)13)5-6-1-3-7(11)4-2-6;/h1-8H;1-4,8,11H,5,10H2,(H,12,13);.
What are the key properties of 2-amino-3-(4-hydroxyphenyl)propanoic acid;copper;2-pyridin-2-ylpyridine?
2-amino-3-(4-hydroxyphenyl)propanoic acid;copper;2-pyridin-2-ylpyridine has a molecular weight of 400.93 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-hydroxyphenyl)propanoic acid;copper;2-pyridin-2-ylpyridine is sourced from PubChem (CID 174728149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).