copper;2-amino-5-(ethylamino)-5-oxopentanoic acid;sulfate

C7H14CuN2O7S — CID 174824189

IUPACcopper;2-amino-5-(ethylamino)-5-oxopentanoic acid;sulfate
SMILESCCNC(=O)CCC(N)C(=O)O.O=S(=O)([O-])[O-].[Cu+2]
InChIInChI=1S/C7H14N2O3.Cu.H2O4S/c1-2-9-6(10)4-3-5(8)7(11)12;;1-5(2,3)4/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12);;(H2,1,2,3,4)/q;+2;/p-2
InChIKeyKBULCFCEDHLLSP-UHFFFAOYSA-L
MW333.81 g/mol
LogP-2.03
Rot. Bonds5

About copper;2-amino-5-(ethylamino)-5-oxopentanoic acid;sulfate

copper;2-amino-5-(ethylamino)-5-oxopentanoic acid;sulfate (PubChem CID 174824189) has the molecular formula C7H14CuN2O7S and a molecular weight of 333.81 g/mol. Its IUPAC name is copper;2-amino-5-(ethylamino)-5-oxopentanoic acid;sulfate.

Molecular Properties

Compound Namecopper;2-amino-5-(ethylamino)-5-oxopentanoic acid;sulfate
PubChem CID174824189
Molecular FormulaC7H14CuN2O7S
Molecular Weight333.81 g/mol
Exact Mass332.98
IUPAC Namecopper;2-amino-5-(ethylamino)-5-oxopentanoic acid;sulfate
SMILESCCNC(=O)CCC(N)C(=O)O.O=S(=O)([O-])[O-].[Cu+2]
InChIInChI=1S/C7H14N2O3.Cu.H2O4S/c1-2-9-6(10)4-3-5(8)7(11)12;;1-5(2,3)4/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12);;(H2,1,2,3,4)/q;+2;/p-2
InChIKeyKBULCFCEDHLLSP-UHFFFAOYSA-L
XLogP-2.03
TPSA172.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.81
LogP ≤ 5-2.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-(ethylamino)-5-oxopentanoic acid;hydrochloride
CID 73408744
2-amino-5-(ethylamino)-5-oxopentanoic acid;2-chloro-3-methyloxirane
CID 175078520
[(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]-oxophosphanium
CID 175846430
disodium;(2S)-2-aminopentanedioic acid;sulfate
CID 157119463
(2S)-2-amino-5-[[(2R)-2-carboxypropyl]amino]-5-oxopentanoic acid
CID 163083327
ethyl (2R)-2-amino-5-(ethylamino)-5-oxopentanoate
CID 71815737
(2S)-2-amino-5-[[(1R)-1-carboxypropyl]amino]-5-oxopentanoic acid
CID 129361384
3-[3-[[(4S)-4-amino-4-carboxybutanoyl]amino]propyl-dimethylazaniumyl]propane-1-sulfonate
CID 177425322
2-amino-5-[[(1S)-1-carboxybutyl]amino]-5-oxopentanoic acid
CID 89120164
magnesium bis(3-[[(4S)-4-amino-4-carboxybutanoyl]amino]propanoate)
CID 139643109
(2S)-4-amino-2-[[(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]amino]-4-oxobutanoic acid
CID 90954445
(2S)-5-amino-2-[[(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]amino]-5-oxopentanoic acid
CID 87920148

Frequently Asked Questions

What is the IUPAC name of copper;2-amino-5-(ethylamino)-5-oxopentanoic acid;sulfate?
The IUPAC name of copper;2-amino-5-(ethylamino)-5-oxopentanoic acid;sulfate (CID 174824189) is copper;2-amino-5-(ethylamino)-5-oxopentanoic acid;sulfate.
What is the SMILES notation for copper;2-amino-5-(ethylamino)-5-oxopentanoic acid;sulfate?
The canonical SMILES for copper;2-amino-5-(ethylamino)-5-oxopentanoic acid;sulfate is CCNC(=O)CCC(N)C(=O)O.O=S(=O)([O-])[O-].[Cu+2].
What is the InChIKey of copper;2-amino-5-(ethylamino)-5-oxopentanoic acid;sulfate?
The InChIKey is KBULCFCEDHLLSP-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H14N2O3.Cu.H2O4S/c1-2-9-6(10)4-3-5(8)7(11)12;;1-5(2,3)4/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12);;(H2,1,2,3,4)/q;+2;/p-2.
What are the key properties of copper;2-amino-5-(ethylamino)-5-oxopentanoic acid;sulfate?
copper;2-amino-5-(ethylamino)-5-oxopentanoic acid;sulfate has a molecular weight of 333.81 g/mol, XLogP of -2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-amino-5-(ethylamino)-5-oxopentanoic acid;sulfate is sourced from PubChem (CID 174824189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).