[6-(hydroxymethyl)-2-azaspiro[3.3]heptan-3-yl] 2-methylheptanoate

C15H27NO3 — CID 175070506

IUPAC[6-(hydroxymethyl)-2-azaspiro[3.3]heptan-3-yl] 2-methylheptanoate
SMILESCCCCCC(C)C(=O)OC1NCC12CC(CO)C2
InChIInChI=1S/C15H27NO3/c1-3-4-5-6-11(2)13(18)19-14-15(10-16-14)7-12(8-15)9-17/h11-12,14,16-17H,3-10H2,1-2H3
InChIKeyGVILYELMYPETSM-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.06
Rot. Bonds7

About [6-(hydroxymethyl)-2-azaspiro[3.3]heptan-3-yl] 2-methylheptanoate

[6-(hydroxymethyl)-2-azaspiro[3.3]heptan-3-yl] 2-methylheptanoate (PubChem CID 175070506) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is [6-(hydroxymethyl)-2-azaspiro[3.3]heptan-3-yl] 2-methylheptanoate.

Molecular Properties

Compound Name[6-(hydroxymethyl)-2-azaspiro[3.3]heptan-3-yl] 2-methylheptanoate
PubChem CID175070506
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name[6-(hydroxymethyl)-2-azaspiro[3.3]heptan-3-yl] 2-methylheptanoate
SMILESCCCCCC(C)C(=O)OC1NCC12CC(CO)C2
InChIInChI=1S/C15H27NO3/c1-3-4-5-6-11(2)13(18)19-14-15(10-16-14)7-12(8-15)9-17/h11-12,14,16-17H,3-10H2,1-2H3
InChIKeyGVILYELMYPETSM-UHFFFAOYSA-N
XLogP2.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 6-methyl-5-[7-(2-methylheptanoyloxy)-2,6-diazaspiro[3.3]heptan-2-yl]pyridine-2-carboxylate
CID 175516789
[2-(2,3-dimethylbenzoyl)-2,6-diazaspiro[3.3]heptan-7-yl] 2-methylheptanoate
CID 175112914
[7-[5-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-2,7-diazaspiro[3.5]nonan-3-yl] 2-methylnonanoate
CID 155345209
[9-(4-aminophenyl)-2,9-diazaspiro[5.5]undecan-1-yl] 2-methylundecanoate
CID 175175099
[3-(2-methylheptanoyloxy)cyclohexyl] 2-methylheptanoate
CID 74220966
2-methyloctanoyl 2-methyloctaneperoxoate
CID 71367675
methyl (2R)-2-methyltetradecanoate
CID 163045577
methyl (2R)-2-methylnonanoate
CID 12525305
methyl (2S)-2-methylnonanoate
CID 12525304
[2,4-bis(4-methoxyphenyl)-3-(2-methylheptanoyloxy)cyclobutyl] 2-methylheptanoate
CID 157251486
1-bicyclo[2.2.1]heptanyl 2-methyloctanoate
CID 175460609
hexyl 2-methyldodecanoate
CID 174392697

Frequently Asked Questions

What is the IUPAC name of [6-(hydroxymethyl)-2-azaspiro[3.3]heptan-3-yl] 2-methylheptanoate?
The IUPAC name of [6-(hydroxymethyl)-2-azaspiro[3.3]heptan-3-yl] 2-methylheptanoate (CID 175070506) is [6-(hydroxymethyl)-2-azaspiro[3.3]heptan-3-yl] 2-methylheptanoate.
What is the SMILES notation for [6-(hydroxymethyl)-2-azaspiro[3.3]heptan-3-yl] 2-methylheptanoate?
The canonical SMILES for [6-(hydroxymethyl)-2-azaspiro[3.3]heptan-3-yl] 2-methylheptanoate is CCCCCC(C)C(=O)OC1NCC12CC(CO)C2.
What is the InChIKey of [6-(hydroxymethyl)-2-azaspiro[3.3]heptan-3-yl] 2-methylheptanoate?
The InChIKey is GVILYELMYPETSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-3-4-5-6-11(2)13(18)19-14-15(10-16-14)7-12(8-15)9-17/h11-12,14,16-17H,3-10H2,1-2H3.
What are the key properties of [6-(hydroxymethyl)-2-azaspiro[3.3]heptan-3-yl] 2-methylheptanoate?
[6-(hydroxymethyl)-2-azaspiro[3.3]heptan-3-yl] 2-methylheptanoate has a molecular weight of 269.38 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(hydroxymethyl)-2-azaspiro[3.3]heptan-3-yl] 2-methylheptanoate is sourced from PubChem (CID 175070506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).