copper bis((2S)-2-amino-3-phenylpropanoate)

C18H20CuN2O4 — CID 12989540

IUPACcopper bis((2S)-2-amino-3-phenylpropanoate)
SMILESN[C@@H](Cc1ccccc1)C(=O)[O-].N[C@@H](Cc1ccccc1)C(=O)[O-].[Cu+2]
InChIInChI=1S/2C9H11NO2.Cu/c2*10-8(9(11)12)6-7-4-2-1-3-5-7;/h2*1-5,8H,6,10H2,(H,11,12);/q;;+2/p-2/t2*8-;/m00./s1
InChIKeyHALNNQZLOVPSEG-QXGOIDDHSA-L
MW391.91 g/mol
LogP-1.39
Rot. Bonds6

About copper bis((2S)-2-amino-3-phenylpropanoate)

copper bis((2S)-2-amino-3-phenylpropanoate) (PubChem CID 12989540) has the molecular formula C18H20CuN2O4 and a molecular weight of 391.91 g/mol. Its IUPAC name is copper bis((2S)-2-amino-3-phenylpropanoate).

Molecular Properties

Compound Namecopper bis((2S)-2-amino-3-phenylpropanoate)
PubChem CID12989540
Molecular FormulaC18H20CuN2O4
Molecular Weight391.91 g/mol
Exact Mass391.07
IUPAC Namecopper bis((2S)-2-amino-3-phenylpropanoate)
SMILESN[C@@H](Cc1ccccc1)C(=O)[O-].N[C@@H](Cc1ccccc1)C(=O)[O-].[Cu+2]
InChIInChI=1S/2C9H11NO2.Cu/c2*10-8(9(11)12)6-7-4-2-1-3-5-7;/h2*1-5,8H,6,10H2,(H,11,12);/q;;+2/p-2/t2*8-;/m00./s1
InChIKeyHALNNQZLOVPSEG-QXGOIDDHSA-L
XLogP-1.39
TPSA132.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.91
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

potassium 2-amino-3-phenylpropanoate
CID 23692488
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
copper;(2S)-2-amino-3-(1H-indol-3-yl)propanoate;(2S)-2-amino-3-phenylpropanoate
CID 10252147
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112
(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
CID 175107963
(2S)-2-amino-3-phenylpropanoic acid;astatane
CID 174857071
sodium;(2S)-2-amino-3-phenylpropanoate;decanoic acid
CID 89052494
tris((2S)-2-amino-3-(4-hydroxyphenyl)propanoate);gold(3+)
CID 173365455
2-amino-3-(3-hydroxyphenyl)propanoate
CID 22492054
2-amino-3-phenylpropanoic acid;ethane
CID 91596942

Frequently Asked Questions

What is the IUPAC name of copper bis((2S)-2-amino-3-phenylpropanoate)?
The IUPAC name of copper bis((2S)-2-amino-3-phenylpropanoate) (CID 12989540) is copper bis((2S)-2-amino-3-phenylpropanoate).
What is the SMILES notation for copper bis((2S)-2-amino-3-phenylpropanoate)?
The canonical SMILES for copper bis((2S)-2-amino-3-phenylpropanoate) is N[C@@H](Cc1ccccc1)C(=O)[O-].N[C@@H](Cc1ccccc1)C(=O)[O-].[Cu+2].
What is the InChIKey of copper bis((2S)-2-amino-3-phenylpropanoate)?
The InChIKey is HALNNQZLOVPSEG-QXGOIDDHSA-L. The full InChI is InChI=1S/2C9H11NO2.Cu/c2*10-8(9(11)12)6-7-4-2-1-3-5-7;/h2*1-5,8H,6,10H2,(H,11,12);/q;;+2/p-2/t2*8-;/m00./s1.
What are the key properties of copper bis((2S)-2-amino-3-phenylpropanoate)?
copper bis((2S)-2-amino-3-phenylpropanoate) has a molecular weight of 391.91 g/mol, XLogP of -1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis((2S)-2-amino-3-phenylpropanoate) is sourced from PubChem (CID 12989540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).