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

C10H17NO4 — CID 20991583

IUPAC2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanoic acid
SMILESCC(C(=O)O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C10H17NO4/c1-8(9(12)13)11-4-2-10(3-5-11)14-6-7-15-10/h8H,2-7H2,1H3,(H,12,13)
InChIKeyQJYPOSHYSAPRFL-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.30
Rot. Bonds2

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

2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanoic acid (PubChem CID 20991583) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanoic acid.

Molecular Properties

Compound Name2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanoic acid
PubChem CID20991583
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanoic acid
SMILESCC(C(=O)O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C10H17NO4/c1-8(9(12)13)11-4-2-10(3-5-11)14-6-7-15-10/h8H,2-7H2,1H3,(H,12,13)
InChIKeyQJYPOSHYSAPRFL-UHFFFAOYSA-N
XLogP0.30
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.30
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)propanoic acid?
The IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanoic acid (CID 20991583) is 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanoic acid.
What is the SMILES notation for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanoic acid?
The canonical SMILES for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanoic acid is CC(C(=O)O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanoic acid?
The InChIKey is QJYPOSHYSAPRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-8(9(12)13)11-4-2-10(3-5-11)14-6-7-15-10/h8H,2-7H2,1H3,(H,12,13).
What are the key properties of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanoic acid?
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.30, 2 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)propanoic acid is sourced from PubChem (CID 20991583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).