(1-ethoxy-2-formyloxyethyl) 8-aminooctanoate

C13H25NO5 — CID 88689795

IUPAC(1-ethoxy-2-formyloxyethyl) 8-aminooctanoate
SMILESCCOC(COC=O)OC(=O)CCCCCCCN
InChIInChI=1S/C13H25NO5/c1-2-18-13(10-17-11-15)19-12(16)8-6-4-3-5-7-9-14/h11,13H,2-10,14H2,1H3
InChIKeyMAKJLEPSOSJXNH-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.36
Rot. Bonds13

About (1-ethoxy-2-formyloxyethyl) 8-aminooctanoate

(1-ethoxy-2-formyloxyethyl) 8-aminooctanoate (PubChem CID 88689795) has the molecular formula C13H25NO5 and a molecular weight of 275.34 g/mol. Its IUPAC name is (1-ethoxy-2-formyloxyethyl) 8-aminooctanoate.

Molecular Properties

Compound Name(1-ethoxy-2-formyloxyethyl) 8-aminooctanoate
PubChem CID88689795
Molecular FormulaC13H25NO5
Molecular Weight275.34 g/mol
Exact Mass275.17
IUPAC Name(1-ethoxy-2-formyloxyethyl) 8-aminooctanoate
SMILESCCOC(COC=O)OC(=O)CCCCCCCN
InChIInChI=1S/C13H25NO5/c1-2-18-13(10-17-11-15)19-12(16)8-6-4-3-5-7-9-14/h11,13H,2-10,14H2,1H3
InChIKeyMAKJLEPSOSJXNH-UHFFFAOYSA-N
XLogP1.36
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

butan-2-yl 7-aminoheptanoate
CID 60902438
hexadecan-7-yl 6-aminohexanoate
CID 162516295
5-amino-N-(2,2-diethoxyethyl)pentanamide
CID 79547358
heptadecan-9-yl 8-aminooctanoate
CID 129073840
1-ethoxypropan-2-yl 5-aminopentanoate
CID 103489040
2,2-diethoxyethyl tetradecanoate
CID 156620968
1-ethoxybutyl hexanoate
CID 87361313
ethyl 16-aminohexadecanoate;hydrobromide
CID 173405590
[3-formyloxy-2-(formyloxymethyl)propyl] nonanoate
CID 168884640
undecan-2-yl 6-aminohexanoate
CID 11324717
decan-2-yl 8-aminooctanoate
CID 15889565
bis(1,6-diaminohexyl) dodecanedioate
CID 57199715

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-2-formyloxyethyl) 8-aminooctanoate?
The IUPAC name of (1-ethoxy-2-formyloxyethyl) 8-aminooctanoate (CID 88689795) is (1-ethoxy-2-formyloxyethyl) 8-aminooctanoate.
What is the SMILES notation for (1-ethoxy-2-formyloxyethyl) 8-aminooctanoate?
The canonical SMILES for (1-ethoxy-2-formyloxyethyl) 8-aminooctanoate is CCOC(COC=O)OC(=O)CCCCCCCN.
What is the InChIKey of (1-ethoxy-2-formyloxyethyl) 8-aminooctanoate?
The InChIKey is MAKJLEPSOSJXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO5/c1-2-18-13(10-17-11-15)19-12(16)8-6-4-3-5-7-9-14/h11,13H,2-10,14H2,1H3.
What are the key properties of (1-ethoxy-2-formyloxyethyl) 8-aminooctanoate?
(1-ethoxy-2-formyloxyethyl) 8-aminooctanoate has a molecular weight of 275.34 g/mol, XLogP of 1.36, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-2-formyloxyethyl) 8-aminooctanoate is sourced from PubChem (CID 88689795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).