fluoro 2-methyl-5-oxo-5-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]pentanoate

C13H22FNO6 — CID 143864219

IUPACfluoro 2-methyl-5-oxo-5-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]pentanoate
SMILESCC(=O)COCCOCCNC(=O)CCC(C)C(=O)OF
InChIInChI=1S/C13H22FNO6/c1-10(13(18)21-14)3-4-12(17)15-5-6-19-7-8-20-9-11(2)16/h10H,3-9H2,1-2H3,(H,15,17)
InChIKeyWULRVVXJSXJWDD-UHFFFAOYSA-N
MW307.32 g/mol
LogP0.57
Rot. Bonds12

About fluoro 2-methyl-5-oxo-5-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]pentanoate

fluoro 2-methyl-5-oxo-5-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]pentanoate (PubChem CID 143864219) has the molecular formula C13H22FNO6 and a molecular weight of 307.32 g/mol. Its IUPAC name is fluoro 2-methyl-5-oxo-5-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]pentanoate.

Molecular Properties

Compound Namefluoro 2-methyl-5-oxo-5-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]pentanoate
PubChem CID143864219
Molecular FormulaC13H22FNO6
Molecular Weight307.32 g/mol
Exact Mass307.14
IUPAC Namefluoro 2-methyl-5-oxo-5-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]pentanoate
SMILESCC(=O)COCCOCCNC(=O)CCC(C)C(=O)OF
InChIInChI=1S/C13H22FNO6/c1-10(13(18)21-14)3-4-12(17)15-5-6-19-7-8-20-9-11(2)16/h10H,3-9H2,1-2H3,(H,15,17)
InChIKeyWULRVVXJSXJWDD-UHFFFAOYSA-N
XLogP0.57
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-oxo-5-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid
CID 130331562
2-acetamido-5-oxo-5-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid
CID 142363831
(2S)-5-oxo-2-(18-oxononadecanoylamino)-5-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]pentanoic acid
CID 137429269
20-[[1-carboxy-4-oxo-4-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]butyl]amino]icosanoic acid
CID 156793103
2-[2-(2-oxopropoxy)ethoxy]-N-[2-(2-oxopropoxy)ethyl]acetamide
CID 169276802
14-[2-[2-[2-[[(1S)-1-carboxy-4-oxo-4-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]butyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-14-oxotetradecanoic acid
CID 149148398
16-amino-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]hexadecanamide;ethane
CID 145370854
18-[[1-carboxy-4-oxo-4-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]butyl]amino]-18-oxooctadecanoic acid
CID 89204643
16-[[(1S)-1-carboxy-4-oxo-4-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]butyl]amino]-16-oxohexadecanoic acid
CID 88946816
20-[[(1S)-1-carboxy-4-oxo-4-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]butyl]amino]-20-oxoicosanoic acid;ethane
CID 144841873
18-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-oxo-4-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]butyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 174282677
3-methyl-N-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen
CID 164557272

Frequently Asked Questions

What is the IUPAC name of fluoro 2-methyl-5-oxo-5-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]pentanoate?
The IUPAC name of fluoro 2-methyl-5-oxo-5-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]pentanoate (CID 143864219) is fluoro 2-methyl-5-oxo-5-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]pentanoate.
What is the SMILES notation for fluoro 2-methyl-5-oxo-5-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]pentanoate?
The canonical SMILES for fluoro 2-methyl-5-oxo-5-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]pentanoate is CC(=O)COCCOCCNC(=O)CCC(C)C(=O)OF.
What is the InChIKey of fluoro 2-methyl-5-oxo-5-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]pentanoate?
The InChIKey is WULRVVXJSXJWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FNO6/c1-10(13(18)21-14)3-4-12(17)15-5-6-19-7-8-20-9-11(2)16/h10H,3-9H2,1-2H3,(H,15,17).
What are the key properties of fluoro 2-methyl-5-oxo-5-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]pentanoate?
fluoro 2-methyl-5-oxo-5-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]pentanoate has a molecular weight of 307.32 g/mol, XLogP of 0.57, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-methyl-5-oxo-5-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]pentanoate is sourced from PubChem (CID 143864219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).