copper(1+);2-(octylamino)acetate

C10H20CuNO2 — CID 21278666

IUPACcopper(1+);2-(octylamino)acetate
SMILESCCCCCCCCNCC(=O)[O-].[Cu+]
InChIInChI=1S/C10H21NO2.Cu/c1-2-3-4-5-6-7-8-11-9-10(12)13;/h11H,2-9H2,1H3,(H,12,13);/q;+1/p-1
InChIKeyYKAGSDQARQYNPS-UHFFFAOYSA-M
MW249.82 g/mol
LogP0.68
Rot. Bonds9

About copper(1+);2-(octylamino)acetate

copper(1+);2-(octylamino)acetate (PubChem CID 21278666) has the molecular formula C10H20CuNO2 and a molecular weight of 249.82 g/mol. Its IUPAC name is copper(1+);2-(octylamino)acetate.

Molecular Properties

Compound Namecopper(1+);2-(octylamino)acetate
PubChem CID21278666
Molecular FormulaC10H20CuNO2
Molecular Weight249.82 g/mol
Exact Mass249.08
IUPAC Namecopper(1+);2-(octylamino)acetate
SMILESCCCCCCCCNCC(=O)[O-].[Cu+]
InChIInChI=1S/C10H21NO2.Cu/c1-2-3-4-5-6-7-8-11-9-10(12)13;/h11H,2-9H2,1H3,(H,12,13);/q;+1/p-1
InChIKeyYKAGSDQARQYNPS-UHFFFAOYSA-M
XLogP0.68
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.82
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(tetradecylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]acetic acid
CID 175074033
potassium 3-(2-oxononadecylamino)propanoate
CID 139910569
2-[2-[2-(hexadecylamino)ethylamino]ethylamino]acetic acid
CID 10091506
sodium;2-(hexadecylamino)acetic acid;hydride
CID 174739572
carbonic acid;N-hexylhexan-1-amine
CID 174995198
tetrakis(decanoate);osmium(4+)
CID 162078983
sodium 2-(2-oxopentadecylamino)acetate
CID 87777451
methyl 2-(hexylamino)acetate;hydrochloride
CID 141426324
2-(heptylamino)-N,N-dimethylacetamide
CID 43214901
disodium;N'-pentylethane-1,2-diamine;propanoate
CID 174680589
N-pentyl-2-(pentylamino)acetamide
CID 109005932
N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;platinum;bis(tetradecanoate)
CID 24969473

Frequently Asked Questions

What is the IUPAC name of copper(1+);2-(octylamino)acetate?
The IUPAC name of copper(1+);2-(octylamino)acetate (CID 21278666) is copper(1+);2-(octylamino)acetate.
What is the SMILES notation for copper(1+);2-(octylamino)acetate?
The canonical SMILES for copper(1+);2-(octylamino)acetate is CCCCCCCCNCC(=O)[O-].[Cu+].
What is the InChIKey of copper(1+);2-(octylamino)acetate?
The InChIKey is YKAGSDQARQYNPS-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H21NO2.Cu/c1-2-3-4-5-6-7-8-11-9-10(12)13;/h11H,2-9H2,1H3,(H,12,13);/q;+1/p-1.
What are the key properties of copper(1+);2-(octylamino)acetate?
copper(1+);2-(octylamino)acetate has a molecular weight of 249.82 g/mol, XLogP of 0.68, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);2-(octylamino)acetate is sourced from PubChem (CID 21278666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).