bis(2-amino-3,3-dihydroxypropanamide);copper;dihydrate

C6H20CuN4O8 — CID 24804515

IUPACbis(2-amino-3,3-dihydroxypropanamide);copper;dihydrate
SMILESNC(=O)C(N)C(O)O.NC(=O)C(N)C(O)O.O.O.[Cu]
InChIInChI=1S/2C3H8N2O3.Cu.2H2O/c2*4-1(2(5)6)3(7)8;;;/h2*1,3,7-8H,4H2,(H2,5,6);;2*1H2
InChIKeyJLFOBNRPKXCLCK-UHFFFAOYSA-N
MW339.79 g/mol
LogP-7.43
Rot. Bonds4

About bis(2-amino-3,3-dihydroxypropanamide);copper;dihydrate

bis(2-amino-3,3-dihydroxypropanamide);copper;dihydrate (PubChem CID 24804515) has the molecular formula C6H20CuN4O8 and a molecular weight of 339.79 g/mol. Its IUPAC name is bis(2-amino-3,3-dihydroxypropanamide);copper;dihydrate.

Molecular Properties

Compound Namebis(2-amino-3,3-dihydroxypropanamide);copper;dihydrate
PubChem CID24804515
Molecular FormulaC6H20CuN4O8
Molecular Weight339.79 g/mol
Exact Mass339.06
IUPAC Namebis(2-amino-3,3-dihydroxypropanamide);copper;dihydrate
SMILESNC(=O)C(N)C(O)O.NC(=O)C(N)C(O)O.O.O.[Cu]
InChIInChI=1S/2C3H8N2O3.Cu.2H2O/c2*4-1(2(5)6)3(7)8;;;/h2*1,3,7-8H,4H2,(H2,5,6);;2*1H2
InChIKeyJLFOBNRPKXCLCK-UHFFFAOYSA-N
XLogP-7.43
TPSA282.14 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.79
LogP ≤ 5-7.43
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-2-amino-3-hydroxybutanamide
CID 22877840
(2S)-2,3-diamino-3-sulfanylpropanamide
CID 88971531
(2R)-2-amino-3-silylpentanamide
CID 174157180
(2R,3S)-2-amino-3-chlorobutanamide
CID 71420306
2-amino-3,3-dimethoxypropanamide
CID 143903860
2-aminoacetic acid;2-amino-3-hydroxybutanamide
CID 18421386
(2S)-2-amino-3-methylbutanamide;(2S)-2-amino-3-methylbutanoic acid
CID 175839028
(2S)-2-amino-3-methylpentanamide
CID 10290817
(2S)-2-amino-3-hydroxyoctanamide
CID 87747002
(3S)-2-amino-3-methylpentanamide;sulfane
CID 159517895
2-aminopropanamide;dihydrochloride
CID 19963402
2-aminopropanamide;ethane
CID 156828005

Frequently Asked Questions

What is the IUPAC name of bis(2-amino-3,3-dihydroxypropanamide);copper;dihydrate?
The IUPAC name of bis(2-amino-3,3-dihydroxypropanamide);copper;dihydrate (CID 24804515) is bis(2-amino-3,3-dihydroxypropanamide);copper;dihydrate.
What is the SMILES notation for bis(2-amino-3,3-dihydroxypropanamide);copper;dihydrate?
The canonical SMILES for bis(2-amino-3,3-dihydroxypropanamide);copper;dihydrate is NC(=O)C(N)C(O)O.NC(=O)C(N)C(O)O.O.O.[Cu].
What is the InChIKey of bis(2-amino-3,3-dihydroxypropanamide);copper;dihydrate?
The InChIKey is JLFOBNRPKXCLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H8N2O3.Cu.2H2O/c2*4-1(2(5)6)3(7)8;;;/h2*1,3,7-8H,4H2,(H2,5,6);;2*1H2.
What are the key properties of bis(2-amino-3,3-dihydroxypropanamide);copper;dihydrate?
bis(2-amino-3,3-dihydroxypropanamide);copper;dihydrate has a molecular weight of 339.79 g/mol, XLogP of -7.43, 4 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-amino-3,3-dihydroxypropanamide);copper;dihydrate is sourced from PubChem (CID 24804515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).