1-amino-2-(2-hydroxyethylamino)pentane-1,1,2-triol;copper

C7H18CuN2O4 — CID 88812819

IUPAC1-amino-2-(2-hydroxyethylamino)pentane-1,1,2-triol;copper
SMILESCCCC(O)(NCCO)C(N)(O)O.[Cu]
InChIInChI=1S/C7H18N2O4.Cu/c1-2-3-6(11,7(8,12)13)9-4-5-10;/h9-13H,2-5,8H2,1H3;
InChIKeyBERNCNCELBULGF-UHFFFAOYSA-N
MW257.78 g/mol
LogP-2.35
Rot. Bonds6

About 1-amino-2-(2-hydroxyethylamino)pentane-1,1,2-triol;copper

1-amino-2-(2-hydroxyethylamino)pentane-1,1,2-triol;copper (PubChem CID 88812819) has the molecular formula C7H18CuN2O4 and a molecular weight of 257.78 g/mol. Its IUPAC name is 1-amino-2-(2-hydroxyethylamino)pentane-1,1,2-triol;copper.

Molecular Properties

Compound Name1-amino-2-(2-hydroxyethylamino)pentane-1,1,2-triol;copper
PubChem CID88812819
Molecular FormulaC7H18CuN2O4
Molecular Weight257.78 g/mol
Exact Mass257.06
IUPAC Name1-amino-2-(2-hydroxyethylamino)pentane-1,1,2-triol;copper
SMILESCCCC(O)(NCCO)C(N)(O)O.[Cu]
InChIInChI=1S/C7H18N2O4.Cu/c1-2-3-6(11,7(8,12)13)9-4-5-10;/h9-13H,2-5,8H2,1H3;
InChIKeyBERNCNCELBULGF-UHFFFAOYSA-N
XLogP-2.35
TPSA118.97 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.78
LogP ≤ 5-2.35
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 23342156
2-amino-N-(2-hydroxyethyl)-2-methylpentanamide
CID 60847863
2-(2-hydroxyethylamino)-2-methylhexan-1-ol
CID 146587998
3-propyl-3-(propylamino)hexan-1-ol
CID 65234503
1-N"-propylbutane-1,1,1-triamine
CID 91113013
2-dodecyl-2-(2-hydroxyethylamino)tetradecan-1-ol
CID 19798932
2-[(1,1,3-triamino-2,2-dimethylpropyl)amino]ethanol
CID 19893038
3-aminoheptane-1,3-diol
CID 154296556
(2S)-2-amino-2-propylbutane-1,4-diol
CID 174635362
2-(2-aminoethyl)pentane-1,2-diol
CID 88986362
2-(2-hydroxyethylamino)-2-methylhexan-3-ol
CID 21248469
ethyl 2-(2-hydroxyethylamino)-2-methylpropanoate
CID 82358602

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-hydroxyethylamino)pentane-1,1,2-triol;copper?
The IUPAC name of 1-amino-2-(2-hydroxyethylamino)pentane-1,1,2-triol;copper (CID 88812819) is 1-amino-2-(2-hydroxyethylamino)pentane-1,1,2-triol;copper.
What is the SMILES notation for 1-amino-2-(2-hydroxyethylamino)pentane-1,1,2-triol;copper?
The canonical SMILES for 1-amino-2-(2-hydroxyethylamino)pentane-1,1,2-triol;copper is CCCC(O)(NCCO)C(N)(O)O.[Cu].
What is the InChIKey of 1-amino-2-(2-hydroxyethylamino)pentane-1,1,2-triol;copper?
The InChIKey is BERNCNCELBULGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O4.Cu/c1-2-3-6(11,7(8,12)13)9-4-5-10;/h9-13H,2-5,8H2,1H3;.
What are the key properties of 1-amino-2-(2-hydroxyethylamino)pentane-1,1,2-triol;copper?
1-amino-2-(2-hydroxyethylamino)pentane-1,1,2-triol;copper has a molecular weight of 257.78 g/mol, XLogP of -2.35, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-hydroxyethylamino)pentane-1,1,2-triol;copper is sourced from PubChem (CID 88812819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).