2-(6-oxa-2-azaspiro[4.5]decan-2-yl)propanoic acid

C11H19NO3 — CID 121202316

IUPAC2-(6-oxa-2-azaspiro[4.5]decan-2-yl)propanoic acid
SMILESCC(C(=O)O)N1CCC2(CCCCO2)C1
InChIInChI=1S/C11H19NO3/c1-9(10(13)14)12-6-5-11(8-12)4-2-3-7-15-11/h9H,2-8H2,1H3,(H,13,14)
InChIKeyGULHIEFLCDIVOK-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.10
Rot. Bonds2

About 2-(6-oxa-2-azaspiro[4.5]decan-2-yl)propanoic acid

2-(6-oxa-2-azaspiro[4.5]decan-2-yl)propanoic acid (PubChem CID 121202316) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(6-oxa-2-azaspiro[4.5]decan-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(6-oxa-2-azaspiro[4.5]decan-2-yl)propanoic acid
PubChem CID121202316
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-(6-oxa-2-azaspiro[4.5]decan-2-yl)propanoic acid
SMILESCC(C(=O)O)N1CCC2(CCCCO2)C1
InChIInChI=1S/C11H19NO3/c1-9(10(13)14)12-6-5-11(8-12)4-2-3-7-15-11/h9H,2-8H2,1H3,(H,13,14)
InChIKeyGULHIEFLCDIVOK-UHFFFAOYSA-N
XLogP1.10
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-[(5R)-6-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
CID 129499000
(2R)-2-chloro-1-[(5R)-6-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
CID 129494213
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanoic acid
CID 20991583
(4S)-8-propan-2-yl-1-oxa-8-azaspiro[3.5]nonane
CID 171748509
2-(methylamino)-1-[(5R)-6-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
CID 129496332
2-(2-azaspiro[3.4]octan-2-yl)propanoic acid
CID 79686519
ethane;9-propan-2-yl-1-oxa-9-azaspiro[4.6]undecane
CID 158051450
N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 118739092
8-propan-2-yl-5-oxa-8-azaspiro[3.6]decane
CID 167444220
(E)-4-[(5R)-6-oxa-2-azaspiro[4.5]decan-2-yl]-4-oxobut-2-enoic acid
CID 129496364
(E)-4-(6-oxa-2-azaspiro[4.5]decan-2-yl)-4-oxobut-2-enoic acid
CID 121202328
(2R)-2-(4,4-difluoropiperidin-1-yl)propanoic acid
CID 129463029

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxa-2-azaspiro[4.5]decan-2-yl)propanoic acid?
The IUPAC name of 2-(6-oxa-2-azaspiro[4.5]decan-2-yl)propanoic acid (CID 121202316) is 2-(6-oxa-2-azaspiro[4.5]decan-2-yl)propanoic acid.
What is the SMILES notation for 2-(6-oxa-2-azaspiro[4.5]decan-2-yl)propanoic acid?
The canonical SMILES for 2-(6-oxa-2-azaspiro[4.5]decan-2-yl)propanoic acid is CC(C(=O)O)N1CCC2(CCCCO2)C1.
What is the InChIKey of 2-(6-oxa-2-azaspiro[4.5]decan-2-yl)propanoic acid?
The InChIKey is GULHIEFLCDIVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-9(10(13)14)12-6-5-11(8-12)4-2-3-7-15-11/h9H,2-8H2,1H3,(H,13,14).
What are the key properties of 2-(6-oxa-2-azaspiro[4.5]decan-2-yl)propanoic acid?
2-(6-oxa-2-azaspiro[4.5]decan-2-yl)propanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxa-2-azaspiro[4.5]decan-2-yl)propanoic acid is sourced from PubChem (CID 121202316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).