carbanide;2-[carboxymethyl-[2-[2-[2-(2-methylbutoxy)ethoxy]ethoxy]ethyl]amino]acetic acid;copper

C18H38CuNO7-3 — CID 22956668

IUPACcarbanide;2-[carboxymethyl-[2-[2-[2-(2-methylbutoxy)ethoxy]ethoxy]ethyl]amino]acetic acid;copper
SMILESCCC(C)COCCOCCOCCN(CC(=O)O)CC(=O)O.[CH3-].[CH3-].[CH3-].[Cu]
InChIInChI=1S/C15H29NO7.3CH3.Cu/c1-3-13(2)12-23-9-8-22-7-6-21-5-4-16(10-14(17)18)11-15(19)20;;;;/h13H,3-12H2,1-2H3,(H,17,18)(H,19,20);3*1H3;/q;3*-1;
InChIKeyRNSIWHAKJRJHJZ-UHFFFAOYSA-N
MW444.05 g/mol
LogP1.90
Rot. Bonds16

About carbanide;2-[carboxymethyl-[2-[2-[2-(2-methylbutoxy)ethoxy]ethoxy]ethyl]amino]acetic acid;copper

carbanide;2-[carboxymethyl-[2-[2-[2-(2-methylbutoxy)ethoxy]ethoxy]ethyl]amino]acetic acid;copper (PubChem CID 22956668) has the molecular formula C18H38CuNO7-3 and a molecular weight of 444.05 g/mol. Its IUPAC name is carbanide;2-[carboxymethyl-[2-[2-[2-(2-methylbutoxy)ethoxy]ethoxy]ethyl]amino]acetic acid;copper.

Molecular Properties

Compound Namecarbanide;2-[carboxymethyl-[2-[2-[2-(2-methylbutoxy)ethoxy]ethoxy]ethyl]amino]acetic acid;copper
PubChem CID22956668
Molecular FormulaC18H38CuNO7-3
Molecular Weight444.05 g/mol
Exact Mass443.20
IUPAC Namecarbanide;2-[carboxymethyl-[2-[2-[2-(2-methylbutoxy)ethoxy]ethoxy]ethyl]amino]acetic acid;copper
SMILESCCC(C)COCCOCCOCCN(CC(=O)O)CC(=O)O.[CH3-].[CH3-].[CH3-].[Cu]
InChIInChI=1S/C15H29NO7.3CH3.Cu/c1-3-13(2)12-23-9-8-22-7-6-21-5-4-16(10-14(17)18)11-15(19)20;;;;/h13H,3-12H2,1-2H3,(H,17,18)(H,19,20);3*1H3;/q;3*-1;
InChIKeyRNSIWHAKJRJHJZ-UHFFFAOYSA-N
XLogP1.90
TPSA105.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.05
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[carboxymethyl-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]amino]acetic acid
CID 177180720
2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid;bis(2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid);ethene
CID 173205461
2-[2-[2-[2-[carboxymethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]ethoxy]ethoxy]ethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid
CID 102241734
acetic acid;O-[2-(2-aminooxyethoxy)ethyl]hydroxylamine;2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid
CID 173046052
2-[2-[2-(hydroxymethoxy)ethoxy]ethyl-(2-oxopropyl)amino]acetic acid
CID 20692343
CID 131887709
CID 131887709
2-[2-[2-[2-[bis(2-nitroso-2-oxoethyl)amino]ethoxy]ethoxy]ethyl-(2-nitroso-2-oxoethyl)amino]acetic acid
CID 134447270
2-[2-[2-[2-[bis(2-oxoethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid
CID 145210953
2-[bis(2-propan-2-yloxyethyl)amino]acetic acid
CID 157202089
1-[2-[2-[2-[bis(3-methyl-2-oxobutyl)amino]ethoxy]ethoxy]ethyl-(2-oxopropyl)amino]-3-methylbutan-2-one
CID 146611862
2-[carboxymethyl-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]amino]acetic acid
CID 152544554
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propan-2-ylamino]acetic acid
CID 104564781

Frequently Asked Questions

What is the IUPAC name of carbanide;2-[carboxymethyl-[2-[2-[2-(2-methylbutoxy)ethoxy]ethoxy]ethyl]amino]acetic acid;copper?
The IUPAC name of carbanide;2-[carboxymethyl-[2-[2-[2-(2-methylbutoxy)ethoxy]ethoxy]ethyl]amino]acetic acid;copper (CID 22956668) is carbanide;2-[carboxymethyl-[2-[2-[2-(2-methylbutoxy)ethoxy]ethoxy]ethyl]amino]acetic acid;copper.
What is the SMILES notation for carbanide;2-[carboxymethyl-[2-[2-[2-(2-methylbutoxy)ethoxy]ethoxy]ethyl]amino]acetic acid;copper?
The canonical SMILES for carbanide;2-[carboxymethyl-[2-[2-[2-(2-methylbutoxy)ethoxy]ethoxy]ethyl]amino]acetic acid;copper is CCC(C)COCCOCCOCCN(CC(=O)O)CC(=O)O.[CH3-].[CH3-].[CH3-].[Cu].
What is the InChIKey of carbanide;2-[carboxymethyl-[2-[2-[2-(2-methylbutoxy)ethoxy]ethoxy]ethyl]amino]acetic acid;copper?
The InChIKey is RNSIWHAKJRJHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO7.3CH3.Cu/c1-3-13(2)12-23-9-8-22-7-6-21-5-4-16(10-14(17)18)11-15(19)20;;;;/h13H,3-12H2,1-2H3,(H,17,18)(H,19,20);3*1H3;/q;3*-1;.
What are the key properties of carbanide;2-[carboxymethyl-[2-[2-[2-(2-methylbutoxy)ethoxy]ethoxy]ethyl]amino]acetic acid;copper?
carbanide;2-[carboxymethyl-[2-[2-[2-(2-methylbutoxy)ethoxy]ethoxy]ethyl]amino]acetic acid;copper has a molecular weight of 444.05 g/mol, XLogP of 1.90, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-[carboxymethyl-[2-[2-[2-(2-methylbutoxy)ethoxy]ethoxy]ethyl]amino]acetic acid;copper is sourced from PubChem (CID 22956668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).