6-(2-methyloxane-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid

C15H23NO4 — CID 120514750

IUPAC6-(2-methyloxane-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCC1CC(C(=O)N2CCC3(CC2)CC3C(=O)O)CCO1
InChIInChI=1S/C15H23NO4/c1-10-8-11(2-7-20-10)13(17)16-5-3-15(4-6-16)9-12(15)14(18)19/h10-12H,2-9H2,1H3,(H,18,19)
InChIKeyRPIXPERABIAYNW-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.51
Rot. Bonds2

About 6-(2-methyloxane-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid

6-(2-methyloxane-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 120514750) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 6-(2-methyloxane-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-methyloxane-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID120514750
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name6-(2-methyloxane-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCC1CC(C(=O)N2CCC3(CC2)CC3C(=O)O)CCO1
InChIInChI=1S/C15H23NO4/c1-10-8-11(2-7-20-10)13(17)16-5-3-15(4-6-16)9-12(15)14(18)19/h10-12H,2-9H2,1H3,(H,18,19)
InChIKeyRPIXPERABIAYNW-UHFFFAOYSA-N
XLogP1.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(cyclopropanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174410
6-(4,4-difluorocyclohexanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514848
6-(spiro[2.4]heptane-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175025
2-methyloxane-4-carboxylic acid
CID 3729256
6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174433
(2R,3S,5R)-5-methyl-6-oxaspiro[2.5]octane-2-carboxylic acid
CID 124708919
(2S)-6-propanoyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 174002395
3-[(3S)-1-[(2R,4S)-2-methyloxane-4-carbonyl]piperidin-3-yl]propanoic acid
CID 129468511
ethane;6-methyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 144539411
(3,3-dimethylmorpholin-4-yl)-(2-methyloxan-4-yl)methanone
CID 127749948
6-(2,2-dicyclopropylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514832
6-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175706

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyloxane-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-(2-methyloxane-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid (CID 120514750) is 6-(2-methyloxane-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-(2-methyloxane-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-(2-methyloxane-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid is CC1CC(C(=O)N2CCC3(CC2)CC3C(=O)O)CCO1.
What is the InChIKey of 6-(2-methyloxane-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is RPIXPERABIAYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-10-8-11(2-7-20-10)13(17)16-5-3-15(4-6-16)9-12(15)14(18)19/h10-12H,2-9H2,1H3,(H,18,19).
What are the key properties of 6-(2-methyloxane-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
6-(2-methyloxane-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 281.35 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyloxane-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 120514750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).