5-(3-azaspiro[5.5]undecan-3-yl)-5-oxopentanoic acid

C15H25NO3 — CID 62936546

IUPAC5-(3-azaspiro[5.5]undecan-3-yl)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C15H25NO3/c17-13(5-4-6-14(18)19)16-11-9-15(10-12-16)7-2-1-3-8-15/h1-12H2,(H,18,19)
InChIKeyHHYJIMAJFPYFAF-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.81
Rot. Bonds4

About 5-(3-azaspiro[5.5]undecan-3-yl)-5-oxopentanoic acid

5-(3-azaspiro[5.5]undecan-3-yl)-5-oxopentanoic acid (PubChem CID 62936546) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 5-(3-azaspiro[5.5]undecan-3-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(3-azaspiro[5.5]undecan-3-yl)-5-oxopentanoic acid
PubChem CID62936546
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name5-(3-azaspiro[5.5]undecan-3-yl)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C15H25NO3/c17-13(5-4-6-14(18)19)16-11-9-15(10-12-16)7-2-1-3-8-15/h1-12H2,(H,18,19)
InChIKeyHHYJIMAJFPYFAF-UHFFFAOYSA-N
XLogP2.81
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-azaspiro[5.5]undecan-3-yl)-6-oxohexanoic acid
CID 62936033
1-(3-azaspiro[5.5]undecan-3-yl)-4-(methylamino)butan-1-one
CID 62930046
3-amino-1-(3-azaspiro[5.5]undecan-3-yl)propan-1-one
CID 62937582
5-amino-1-(8-azaspiro[4.5]decan-8-yl)hexan-1-one
CID 82852237
1-(8-azaspiro[4.5]decan-8-yl)-3-(propan-2-ylamino)propan-1-one
CID 63163607
6-[4,4-bis(2-oxopropyl)piperidin-1-yl]-6-oxohexanoic acid
CID 145408296
6-(8-oxa-2-azaspiro[4.5]decan-2-yl)-6-oxohexanoic acid
CID 114279188
1-(8-azaspiro[4.6]undecan-8-yl)-2-chloroethanone
CID 167588263
5-(3,3-difluoropiperidin-1-yl)-5-oxopentanoic acid
CID 116991461
5-oxo-5-(4-oxopiperidin-1-yl)pentanoic acid
CID 2760467
3-amino-1-(2-azaspiro[4.5]decan-2-yl)propan-1-one
CID 83628810
1-(12-oxo-12-piperidin-1-yldodecanoyl)piperidine-4,4-dicarboxylic acid
CID 86346056

Frequently Asked Questions

What is the IUPAC name of 5-(3-azaspiro[5.5]undecan-3-yl)-5-oxopentanoic acid?
The IUPAC name of 5-(3-azaspiro[5.5]undecan-3-yl)-5-oxopentanoic acid (CID 62936546) is 5-(3-azaspiro[5.5]undecan-3-yl)-5-oxopentanoic acid.
What is the SMILES notation for 5-(3-azaspiro[5.5]undecan-3-yl)-5-oxopentanoic acid?
The canonical SMILES for 5-(3-azaspiro[5.5]undecan-3-yl)-5-oxopentanoic acid is O=C(O)CCCC(=O)N1CCC2(CCCCC2)CC1.
What is the InChIKey of 5-(3-azaspiro[5.5]undecan-3-yl)-5-oxopentanoic acid?
The InChIKey is HHYJIMAJFPYFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c17-13(5-4-6-14(18)19)16-11-9-15(10-12-16)7-2-1-3-8-15/h1-12H2,(H,18,19).
What are the key properties of 5-(3-azaspiro[5.5]undecan-3-yl)-5-oxopentanoic acid?
5-(3-azaspiro[5.5]undecan-3-yl)-5-oxopentanoic acid has a molecular weight of 267.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-azaspiro[5.5]undecan-3-yl)-5-oxopentanoic acid is sourced from PubChem (CID 62936546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).