copper;(2S)-2-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropanoic acid

C16H15CuNO3 — CID 137349128

IUPACcopper;(2S)-2-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropanoic acid
SMILESO=C(O)[C@H](Cc1ccccc1)/N=C/c1ccccc1O.[Cu]
InChIInChI=1S/C16H15NO3.Cu/c18-15-9-5-4-8-13(15)11-17-14(16(19)20)10-12-6-2-1-3-7-12;/h1-9,11,14,18H,10H2,(H,19,20);/b17-11+;/t14-;/m0./s1
InChIKeyPPGHRPJWQTWFIW-VNKRLIBXSA-N
MW332.85 g/mol
LogP2.50
Rot. Bonds5

About copper;(2S)-2-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropanoic acid

copper;(2S)-2-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropanoic acid (PubChem CID 137349128) has the molecular formula C16H15CuNO3 and a molecular weight of 332.85 g/mol. Its IUPAC name is copper;(2S)-2-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropanoic acid.

Molecular Properties

Compound Namecopper;(2S)-2-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropanoic acid
PubChem CID137349128
Molecular FormulaC16H15CuNO3
Molecular Weight332.85 g/mol
Exact Mass332.03
IUPAC Namecopper;(2S)-2-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropanoic acid
SMILESO=C(O)[C@H](Cc1ccccc1)/N=C/c1ccccc1O.[Cu]
InChIInChI=1S/C16H15NO3.Cu/c18-15-9-5-4-8-13(15)11-17-14(16(19)20)10-12-6-2-1-3-7-12;/h1-9,11,14,18H,10H2,(H,19,20);/b17-11+;/t14-;/m0./s1
InChIKeyPPGHRPJWQTWFIW-VNKRLIBXSA-N
XLogP2.50
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[(2-hydroxyphenyl)methylideneamino]propanoic acid
CID 136867324
(2S)-2-[[4-[[(1S)-1-carboxy-2-phenylethyl]iminomethyl]phenyl]methylideneamino]-3-phenylpropanoic acid
CID 102584454
2-(benzylideneamino)-3-phenylpropanoic acid
CID 12560761
2-[(2-hydroxy-5-sulfophenyl)methylideneamino]-3-phenylpropanoic acid
CID 136719290
(2S)-2-[[5-(diaminomethylideneamino)-2-hydroxyphenyl]methylideneamino]-3-phenylpropanoic acid
CID 136717278
(2S)-2-[2-(2,5-dihydroxyphenyl)ethylideneamino]-3-phenylpropanoic acid
CID 25141583
(2S)-2-[(4-ethenylphenyl)methylideneamino]-3-phenylpropanoic acid
CID 70622231
(2R)-2-[[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]methylideneamino]-3-phenylpropanoic acid
CID 135436754
(2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-3-phenylpropanoic acid
CID 136740415
(2S)-2-[(2-hydroxyphenyl)methylideneamino]propanoic acid
CID 135440080
3-phenyl-2-(1,3-thiazol-2-ylmethylideneamino)propanoic acid
CID 69143838
2-amino-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide
CID 177413584

Frequently Asked Questions

What is the IUPAC name of copper;(2S)-2-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropanoic acid?
The IUPAC name of copper;(2S)-2-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropanoic acid (CID 137349128) is copper;(2S)-2-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropanoic acid.
What is the SMILES notation for copper;(2S)-2-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropanoic acid?
The canonical SMILES for copper;(2S)-2-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropanoic acid is O=C(O)[C@H](Cc1ccccc1)/N=C/c1ccccc1O.[Cu].
What is the InChIKey of copper;(2S)-2-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropanoic acid?
The InChIKey is PPGHRPJWQTWFIW-VNKRLIBXSA-N. The full InChI is InChI=1S/C16H15NO3.Cu/c18-15-9-5-4-8-13(15)11-17-14(16(19)20)10-12-6-2-1-3-7-12;/h1-9,11,14,18H,10H2,(H,19,20);/b17-11+;/t14-;/m0./s1.
What are the key properties of copper;(2S)-2-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropanoic acid?
copper;(2S)-2-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropanoic acid has a molecular weight of 332.85 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper;(2S)-2-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropanoic acid is sourced from PubChem (CID 137349128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).