copper (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate

C6H8CuN3O2+ — CID 3081579

IUPACcopper (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate
SMILESN[C@H](Cc1cnc[nH]1)C(=O)[O-].[Cu+2]
InChIInChI=1S/C6H9N3O2.Cu/c7-5(6(10)11)1-4-2-8-3-9-4;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);/q;+2/p-1/t5-;/m1./s1
InChIKeyRNHVHXAWESRSDJ-NUBCRITNSA-M
MW217.69 g/mol
LogP-1.97
Rot. Bonds3

About copper (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate

copper (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate (PubChem CID 3081579) has the molecular formula C6H8CuN3O2+ and a molecular weight of 217.69 g/mol. Its IUPAC name is copper (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate.

Molecular Properties

Compound Namecopper (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate
PubChem CID3081579
Molecular FormulaC6H8CuN3O2+
Molecular Weight217.69 g/mol
Exact Mass216.99
IUPAC Namecopper (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate
SMILESN[C@H](Cc1cnc[nH]1)C(=O)[O-].[Cu+2]
InChIInChI=1S/C6H9N3O2.Cu/c7-5(6(10)11)1-4-2-8-3-9-4;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);/q;+2/p-1/t5-;/m1./s1
InChIKeyRNHVHXAWESRSDJ-NUBCRITNSA-M
XLogP-1.97
TPSA94.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.69
LogP ≤ 5-1.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of copper (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate?
The IUPAC name of copper (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate (CID 3081579) is copper (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate.
What is the SMILES notation for copper (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate?
The canonical SMILES for copper (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate is N[C@H](Cc1cnc[nH]1)C(=O)[O-].[Cu+2].
What is the InChIKey of copper (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate?
The InChIKey is RNHVHXAWESRSDJ-NUBCRITNSA-M. The full InChI is InChI=1S/C6H9N3O2.Cu/c7-5(6(10)11)1-4-2-8-3-9-4;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);/q;+2/p-1/t5-;/m1./s1.
What are the key properties of copper (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate?
copper (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate has a molecular weight of 217.69 g/mol, XLogP of -1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate is sourced from PubChem (CID 3081579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).