[2-oxo-2-[3-oxo-3-[(3-oxo-3-propan-2-yloxypropyl)amino]propoxy]ethylidene]cobalt

C11H17CoNO5 — CID 173495817

IUPAC[2-oxo-2-[3-oxo-3-[(3-oxo-3-propan-2-yloxypropyl)amino]propoxy]ethylidene]cobalt
SMILESCC(C)OC(=O)CCNC(=O)CCOC(=O)C=[Co]
InChIInChI=1S/C11H17NO5.Co/c1-8(2)17-11(15)4-6-12-10(14)5-7-16-9(3)13;/h3,8H,4-7H2,1-2H3,(H,12,14);
InChIKeyTTZUQGDFIPENSQ-UHFFFAOYSA-N
MW302.19 g/mol
LogP-0.27
Rot. Bonds8

About [2-oxo-2-[3-oxo-3-[(3-oxo-3-propan-2-yloxypropyl)amino]propoxy]ethylidene]cobalt

[2-oxo-2-[3-oxo-3-[(3-oxo-3-propan-2-yloxypropyl)amino]propoxy]ethylidene]cobalt (PubChem CID 173495817) has the molecular formula C11H17CoNO5 and a molecular weight of 302.19 g/mol. Its IUPAC name is [2-oxo-2-[3-oxo-3-[(3-oxo-3-propan-2-yloxypropyl)amino]propoxy]ethylidene]cobalt.

Molecular Properties

Compound Name[2-oxo-2-[3-oxo-3-[(3-oxo-3-propan-2-yloxypropyl)amino]propoxy]ethylidene]cobalt
PubChem CID173495817
Molecular FormulaC11H17CoNO5
Molecular Weight302.19 g/mol
Exact Mass302.04
IUPAC Name[2-oxo-2-[3-oxo-3-[(3-oxo-3-propan-2-yloxypropyl)amino]propoxy]ethylidene]cobalt
SMILESCC(C)OC(=O)CCNC(=O)CCOC(=O)C=[Co]
InChIInChI=1S/C11H17NO5.Co/c1-8(2)17-11(15)4-6-12-10(14)5-7-16-9(3)13;/h3,8H,4-7H2,1-2H3,(H,12,14);
InChIKeyTTZUQGDFIPENSQ-UHFFFAOYSA-N
XLogP-0.27
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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propan-2-yl 3-(2-aminopropylamino)propanoate
CID 54006128
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CID 170008540
propan-2-yl 4-[4-(2-methylprop-2-enoylamino)butylamino]-4-oxobutanoate
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propan-2-yl 3-[(N-butan-2-yl-N'-methylcarbamimidoyl)amino]propanoate;hydroiodide
CID 110944771
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CID 111037123
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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[3-oxo-3-[(3-oxo-3-propan-2-yloxypropyl)amino]propoxy]ethylidene]cobalt?
The IUPAC name of [2-oxo-2-[3-oxo-3-[(3-oxo-3-propan-2-yloxypropyl)amino]propoxy]ethylidene]cobalt (CID 173495817) is [2-oxo-2-[3-oxo-3-[(3-oxo-3-propan-2-yloxypropyl)amino]propoxy]ethylidene]cobalt.
What is the SMILES notation for [2-oxo-2-[3-oxo-3-[(3-oxo-3-propan-2-yloxypropyl)amino]propoxy]ethylidene]cobalt?
The canonical SMILES for [2-oxo-2-[3-oxo-3-[(3-oxo-3-propan-2-yloxypropyl)amino]propoxy]ethylidene]cobalt is CC(C)OC(=O)CCNC(=O)CCOC(=O)C=[Co].
What is the InChIKey of [2-oxo-2-[3-oxo-3-[(3-oxo-3-propan-2-yloxypropyl)amino]propoxy]ethylidene]cobalt?
The InChIKey is TTZUQGDFIPENSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5.Co/c1-8(2)17-11(15)4-6-12-10(14)5-7-16-9(3)13;/h3,8H,4-7H2,1-2H3,(H,12,14);.
What are the key properties of [2-oxo-2-[3-oxo-3-[(3-oxo-3-propan-2-yloxypropyl)amino]propoxy]ethylidene]cobalt?
[2-oxo-2-[3-oxo-3-[(3-oxo-3-propan-2-yloxypropyl)amino]propoxy]ethylidene]cobalt has a molecular weight of 302.19 g/mol, XLogP of -0.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[3-oxo-3-[(3-oxo-3-propan-2-yloxypropyl)amino]propoxy]ethylidene]cobalt is sourced from PubChem (CID 173495817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).