5-(2-formamidoethoxy)-5-oxopentanoic acid

C8H13NO5 — CID 88935057

IUPAC5-(2-formamidoethoxy)-5-oxopentanoic acid
SMILESO=CNCCOC(=O)CCCC(=O)O
InChIInChI=1S/C8H13NO5/c10-6-9-4-5-14-8(13)3-1-2-7(11)12/h6H,1-5H2,(H,9,10)(H,11,12)
InChIKeyGBTFQOQLIWRSOF-UHFFFAOYSA-N
MW203.19 g/mol
LogP-0.47
Rot. Bonds8

About 5-(2-formamidoethoxy)-5-oxopentanoic acid

5-(2-formamidoethoxy)-5-oxopentanoic acid (PubChem CID 88935057) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is 5-(2-formamidoethoxy)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2-formamidoethoxy)-5-oxopentanoic acid
PubChem CID88935057
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name5-(2-formamidoethoxy)-5-oxopentanoic acid
SMILESO=CNCCOC(=O)CCCC(=O)O
InChIInChI=1S/C8H13NO5/c10-6-9-4-5-14-8(13)3-1-2-7(11)12/h6H,1-5H2,(H,9,10)(H,11,12)
InChIKeyGBTFQOQLIWRSOF-UHFFFAOYSA-N
XLogP-0.47
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[6-(4-carboxybutanoyloxy)hexoxy]-5-oxopentanoic acid
CID 18380135
propyl 7-formamidoheptanoate
CID 54319658
6-[4-[6-[4-[6-[4-[6-[4-[6-[4-[6-[4-(5-carboxypentanoyloxy)butoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoic acid
CID 102514507
8-[(8-nonoxy-8-oxooctyl)amino]octanoic acid
CID 151935733
18-(9-carboxynonanoyloxy)octadecanoic acid
CID 87097649
6-[2-[2-(5-carboxypentanoyloxy)ethoxy]ethoxy]-6-oxohexanoic acid
CID 88544057
bis(bis(2-hydroxyethyl) butanedioate);pentanedioic acid
CID 175038974
6-[4-[4-[4-[4-[4-(3-carboxypropanoyloxy)butoxy]-4-oxobutanoyl]oxybutoxy]-4-oxobutanoyl]oxybutoxy]-6-oxohexanoic acid
CID 101096929
bis(dibutyl pentanedioate);hexanedioic acid
CID 174889262
4-oxo-4-[3-(4-oxobutanoyloxy)propoxy]butanoic acid
CID 58884340
5-(22-hydroxydocosoxy)-5-oxopentanoic acid
CID 102355782
5-(3-ethoxy-3-oxopropoxy)-5-oxopentanoic acid
CID 150155538

Frequently Asked Questions

What is the IUPAC name of 5-(2-formamidoethoxy)-5-oxopentanoic acid?
The IUPAC name of 5-(2-formamidoethoxy)-5-oxopentanoic acid (CID 88935057) is 5-(2-formamidoethoxy)-5-oxopentanoic acid.
What is the SMILES notation for 5-(2-formamidoethoxy)-5-oxopentanoic acid?
The canonical SMILES for 5-(2-formamidoethoxy)-5-oxopentanoic acid is O=CNCCOC(=O)CCCC(=O)O.
What is the InChIKey of 5-(2-formamidoethoxy)-5-oxopentanoic acid?
The InChIKey is GBTFQOQLIWRSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5/c10-6-9-4-5-14-8(13)3-1-2-7(11)12/h6H,1-5H2,(H,9,10)(H,11,12).
What are the key properties of 5-(2-formamidoethoxy)-5-oxopentanoic acid?
5-(2-formamidoethoxy)-5-oxopentanoic acid has a molecular weight of 203.19 g/mol, XLogP of -0.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-formamidoethoxy)-5-oxopentanoic acid is sourced from PubChem (CID 88935057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).