5-oxo-5-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentanoic acid

C15H27NO7 — CID 3443349

IUPAC5-oxo-5-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentanoic acid
SMILESO=C(O)CCCC(=O)N1CCOCCOCCOCCOCC1
InChIInChI=1S/C15H27NO7/c17-14(2-1-3-15(18)19)16-4-6-20-8-10-22-12-13-23-11-9-21-7-5-16/h1-13H2,(H,18,19)
InChIKeyWEOICWXRWKFBII-UHFFFAOYSA-N
MW333.38 g/mol
LogP0.15
Rot. Bonds4

About 5-oxo-5-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentanoic acid

5-oxo-5-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentanoic acid (PubChem CID 3443349) has the molecular formula C15H27NO7 and a molecular weight of 333.38 g/mol. Its IUPAC name is 5-oxo-5-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentanoic acid
PubChem CID3443349
Molecular FormulaC15H27NO7
Molecular Weight333.38 g/mol
Exact Mass333.18
IUPAC Name5-oxo-5-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentanoic acid
SMILESO=C(O)CCCC(=O)N1CCOCCOCCOCCOCC1
InChIInChI=1S/C15H27NO7/c17-14(2-1-3-15(18)19)16-4-6-20-8-10-22-12-13-23-11-9-21-7-5-16/h1-13H2,(H,18,19)
InChIKeyWEOICWXRWKFBII-UHFFFAOYSA-N
XLogP0.15
TPSA94.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentanoic acid?
The IUPAC name of 5-oxo-5-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentanoic acid (CID 3443349) is 5-oxo-5-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentanoic acid.
What is the SMILES notation for 5-oxo-5-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentanoic acid?
The canonical SMILES for 5-oxo-5-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentanoic acid is O=C(O)CCCC(=O)N1CCOCCOCCOCCOCC1.
What is the InChIKey of 5-oxo-5-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentanoic acid?
The InChIKey is WEOICWXRWKFBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO7/c17-14(2-1-3-15(18)19)16-4-6-20-8-10-22-12-13-23-11-9-21-7-5-16/h1-13H2,(H,18,19).
What are the key properties of 5-oxo-5-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentanoic acid?
5-oxo-5-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentanoic acid has a molecular weight of 333.38 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentanoic acid is sourced from PubChem (CID 3443349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).