copper bis([1-carboxy-5-(2-methylprop-2-enoylamino)pentyl]azanide)

C20H34CuN4O6 — CID 59856363

IUPACcopper bis([1-carboxy-5-(2-methylprop-2-enoylamino)pentyl]azanide)
SMILESC=C(C)C(=O)NCCCCC([NH-])C(=O)O.C=C(C)C(=O)NCCCCC([NH-])C(=O)O.[Cu+2]
InChIInChI=1S/2C10H17N2O3.Cu/c2*1-7(2)9(13)12-6-4-3-5-8(11)10(14)15;/h2*8,11H,1,3-6H2,2H3,(H,12,13)(H,14,15);/q2*-1;+2
InChIKeyHKNCOXPSBGWXSJ-UHFFFAOYSA-N
MW490.06 g/mol
LogP2.71
Rot. Bonds14

About copper bis([1-carboxy-5-(2-methylprop-2-enoylamino)pentyl]azanide)

copper bis([1-carboxy-5-(2-methylprop-2-enoylamino)pentyl]azanide) (PubChem CID 59856363) has the molecular formula C20H34CuN4O6 and a molecular weight of 490.06 g/mol. Its IUPAC name is copper bis([1-carboxy-5-(2-methylprop-2-enoylamino)pentyl]azanide).

Molecular Properties

Compound Namecopper bis([1-carboxy-5-(2-methylprop-2-enoylamino)pentyl]azanide)
PubChem CID59856363
Molecular FormulaC20H34CuN4O6
Molecular Weight490.06 g/mol
Exact Mass489.18
IUPAC Namecopper bis([1-carboxy-5-(2-methylprop-2-enoylamino)pentyl]azanide)
SMILESC=C(C)C(=O)NCCCCC([NH-])C(=O)O.C=C(C)C(=O)NCCCCC([NH-])C(=O)O.[Cu+2]
InChIInChI=1S/2C10H17N2O3.Cu/c2*1-7(2)9(13)12-6-4-3-5-8(11)10(14)15;/h2*8,11H,1,3-6H2,2H3,(H,12,13)(H,14,15);/q2*-1;+2
InChIKeyHKNCOXPSBGWXSJ-UHFFFAOYSA-N
XLogP2.71
TPSA180.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.06
LogP ≤ 52.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-6-(2-methylprop-2-enoylamino)hexanoic acid
CID 18391586
2-[3-(2-methylprop-2-enoylamino)propylamino]propanedioic acid
CID 87206701
N-icosyl-2-methylprop-2-enamide
CID 22336363
2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-methylprop-2-enoylamino)hexanoic acid
CID 87085942
N-(8-aminooctyl)-2-methylprop-2-enamide
CID 86094836
N-(3-dimethylarsanylpropyl)-2-methylprop-2-enamide
CID 87191392
N-(3-aminopropyl)-2-methylprop-2-enamide
CID 158225145
2-methyl-N-[3-[3-[3-(3-methylbuta-1,3-dien-2-ylamino)propylamino]buta-1,3-dien-2-ylamino]propyl]prop-2-enamide
CID 166886440
N-(3-bromopropyl)-2-methylprop-2-enamide
CID 86134938
2-methylidene-5-(2-methylprop-2-enoylamino)pentanoic acid
CID 18407922
2-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]butanamide
CID 59773657
N-(3,3-difluoropropyl)-2-methylprop-2-enamide
CID 89332583

Frequently Asked Questions

What is the IUPAC name of copper bis([1-carboxy-5-(2-methylprop-2-enoylamino)pentyl]azanide)?
The IUPAC name of copper bis([1-carboxy-5-(2-methylprop-2-enoylamino)pentyl]azanide) (CID 59856363) is copper bis([1-carboxy-5-(2-methylprop-2-enoylamino)pentyl]azanide).
What is the SMILES notation for copper bis([1-carboxy-5-(2-methylprop-2-enoylamino)pentyl]azanide)?
The canonical SMILES for copper bis([1-carboxy-5-(2-methylprop-2-enoylamino)pentyl]azanide) is C=C(C)C(=O)NCCCCC([NH-])C(=O)O.C=C(C)C(=O)NCCCCC([NH-])C(=O)O.[Cu+2].
What is the InChIKey of copper bis([1-carboxy-5-(2-methylprop-2-enoylamino)pentyl]azanide)?
The InChIKey is HKNCOXPSBGWXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H17N2O3.Cu/c2*1-7(2)9(13)12-6-4-3-5-8(11)10(14)15;/h2*8,11H,1,3-6H2,2H3,(H,12,13)(H,14,15);/q2*-1;+2.
What are the key properties of copper bis([1-carboxy-5-(2-methylprop-2-enoylamino)pentyl]azanide)?
copper bis([1-carboxy-5-(2-methylprop-2-enoylamino)pentyl]azanide) has a molecular weight of 490.06 g/mol, XLogP of 2.71, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis([1-carboxy-5-(2-methylprop-2-enoylamino)pentyl]azanide) is sourced from PubChem (CID 59856363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).