copper (4S)-5-hydroxy-4-(1-oxidooctadecylideneamino)-5-oxopentanoate

C23H41CuNO5 — CID 101137764

IUPACcopper (4S)-5-hydroxy-4-(1-oxidooctadecylideneamino)-5-oxopentanoate
SMILESCCCCCCCCCCCCCCCCC/C([O-])=N/[C@@H](CCC(=O)[O-])C(=O)O.[Cu+2]
InChIInChI=1S/C23H43NO5.Cu/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)24-20(23(28)29)18-19-22(26)27;/h20H,2-19H2,1H3,(H,24,25)(H,26,27)(H,28,29);/q;+2/p-2/t20-;/m0./s1
InChIKeyPAXCLEWMOBDZBI-BDQAORGHSA-L
MW475.13 g/mol
LogP3.99
Rot. Bonds21

About copper (4S)-5-hydroxy-4-(1-oxidooctadecylideneamino)-5-oxopentanoate

copper (4S)-5-hydroxy-4-(1-oxidooctadecylideneamino)-5-oxopentanoate (PubChem CID 101137764) has the molecular formula C23H41CuNO5 and a molecular weight of 475.13 g/mol. Its IUPAC name is copper (4S)-5-hydroxy-4-(1-oxidooctadecylideneamino)-5-oxopentanoate.

Molecular Properties

Compound Namecopper (4S)-5-hydroxy-4-(1-oxidooctadecylideneamino)-5-oxopentanoate
PubChem CID101137764
Molecular FormulaC23H41CuNO5
Molecular Weight475.13 g/mol
Exact Mass474.23
IUPAC Namecopper (4S)-5-hydroxy-4-(1-oxidooctadecylideneamino)-5-oxopentanoate
SMILESCCCCCCCCCCCCCCCCC/C([O-])=N/[C@@H](CCC(=O)[O-])C(=O)O.[Cu+2]
InChIInChI=1S/C23H43NO5.Cu/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)24-20(23(28)29)18-19-22(26)27;/h20H,2-19H2,1H3,(H,24,25)(H,26,27)(H,28,29);/q;+2/p-2/t20-;/m0./s1
InChIKeyPAXCLEWMOBDZBI-BDQAORGHSA-L
XLogP3.99
TPSA112.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.13
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

calcium (4S)-5-hydroxy-4-(1-oxidooctadecylideneamino)-5-oxopentanoate
CID 102267636
sodium N-[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]dodecanimidate
CID 132917583
dialuminum;(2S)-2-(octadecanoylamino)pentanedioic acid;bis((2S)-2-(1-oxidooctadecylideneamino)pentanedioate)
CID 170846595
disodium;(4S)-4-[(3-fluoro-1-oxidohexylidene)amino]-5-hydroxy-5-oxopentanoate
CID 101278166
disodium;(4S)-5-hydroxy-4-[[(E)-1-oxidohept-3-enylidene]amino]-5-oxopentanoate
CID 101284910
N-[(2S)-4-carboxy-1-docosan-5-yloxy-1-oxobutan-2-yl]dodecanimidate
CID 170849750
copper bis(tricosanoate)
CID 158584848
copper;copper;bis(octadecanoate)
CID 157120131
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
magnesium;2,3-dihydroxybutanedioic acid;bis(octadecanoate)
CID 161018425

Frequently Asked Questions

What is the IUPAC name of copper (4S)-5-hydroxy-4-(1-oxidooctadecylideneamino)-5-oxopentanoate?
The IUPAC name of copper (4S)-5-hydroxy-4-(1-oxidooctadecylideneamino)-5-oxopentanoate (CID 101137764) is copper (4S)-5-hydroxy-4-(1-oxidooctadecylideneamino)-5-oxopentanoate.
What is the SMILES notation for copper (4S)-5-hydroxy-4-(1-oxidooctadecylideneamino)-5-oxopentanoate?
The canonical SMILES for copper (4S)-5-hydroxy-4-(1-oxidooctadecylideneamino)-5-oxopentanoate is CCCCCCCCCCCCCCCCC/C([O-])=N/[C@@H](CCC(=O)[O-])C(=O)O.[Cu+2].
What is the InChIKey of copper (4S)-5-hydroxy-4-(1-oxidooctadecylideneamino)-5-oxopentanoate?
The InChIKey is PAXCLEWMOBDZBI-BDQAORGHSA-L. The full InChI is InChI=1S/C23H43NO5.Cu/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)24-20(23(28)29)18-19-22(26)27;/h20H,2-19H2,1H3,(H,24,25)(H,26,27)(H,28,29);/q;+2/p-2/t20-;/m0./s1.
What are the key properties of copper (4S)-5-hydroxy-4-(1-oxidooctadecylideneamino)-5-oxopentanoate?
copper (4S)-5-hydroxy-4-(1-oxidooctadecylideneamino)-5-oxopentanoate has a molecular weight of 475.13 g/mol, XLogP of 3.99, 21 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for copper (4S)-5-hydroxy-4-(1-oxidooctadecylideneamino)-5-oxopentanoate is sourced from PubChem (CID 101137764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).