2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylacetic acid

C15H19NO4 — CID 20989575

IUPAC2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylacetic acid
SMILESO=C(O)C(c1ccccc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C15H19NO4/c17-14(18)13(12-4-2-1-3-5-12)16-8-6-15(7-9-16)19-10-11-20-15/h1-5,13H,6-11H2,(H,17,18)
InChIKeyJZECITHJWMEGAT-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.65
Rot. Bonds3

About 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylacetic acid

2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylacetic acid (PubChem CID 20989575) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylacetic acid
PubChem CID20989575
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylacetic acid
SMILESO=C(O)C(c1ccccc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C15H19NO4/c17-14(18)13(12-4-2-1-3-5-12)16-8-6-15(7-9-16)19-10-11-20-15/h1-5,13H,6-11H2,(H,17,18)
InChIKeyJZECITHJWMEGAT-UHFFFAOYSA-N
XLogP1.65
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylacetic acid?
The IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylacetic acid (CID 20989575) is 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylacetic acid.
What is the SMILES notation for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylacetic acid?
The canonical SMILES for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylacetic acid is O=C(O)C(c1ccccc1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylacetic acid?
The InChIKey is JZECITHJWMEGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c17-14(18)13(12-4-2-1-3-5-12)16-8-6-15(7-9-16)19-10-11-20-15/h1-5,13H,6-11H2,(H,17,18).
What are the key properties of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylacetic acid?
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylacetic acid has a molecular weight of 277.32 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylacetic acid is sourced from PubChem (CID 20989575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).