2-methylpropyl 5-azaspiro[2.4]heptane-5-carboxylate

C11H19NO2 — CID 130256154

IUPAC2-methylpropyl 5-azaspiro[2.4]heptane-5-carboxylate
SMILESCC(C)COC(=O)N1CCC2(CC2)C1
InChIInChI=1S/C11H19NO2/c1-9(2)7-14-10(13)12-6-5-11(8-12)3-4-11/h9H,3-8H2,1-2H3
InChIKeyXUBGLFKACYCFTO-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.26
Rot. Bonds2

About 2-methylpropyl 5-azaspiro[2.4]heptane-5-carboxylate

2-methylpropyl 5-azaspiro[2.4]heptane-5-carboxylate (PubChem CID 130256154) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-methylpropyl 5-azaspiro[2.4]heptane-5-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 5-azaspiro[2.4]heptane-5-carboxylate
PubChem CID130256154
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-methylpropyl 5-azaspiro[2.4]heptane-5-carboxylate
SMILESCC(C)COC(=O)N1CCC2(CC2)C1
InChIInChI=1S/C11H19NO2/c1-9(2)7-14-10(13)12-6-5-11(8-12)3-4-11/h9H,3-8H2,1-2H3
InChIKeyXUBGLFKACYCFTO-UHFFFAOYSA-N
XLogP2.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid
CID 107323806
2-methylpropyl 3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 97449150
1-(5-azaspiro[2.4]heptan-5-yl)-4-methylpentan-1-one
CID 166169822
2-methylpropyl 4-iodopiperazine-1-carboxylate
CID 155242434
1-(2-methylpropoxycarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63135724
(2R)-2-amino-1-(2-azaspiro[4.4]nonan-2-yl)propan-1-one
CID 130163238
2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate
CID 21025591
ethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate
CID 118294701
benzyl 8-[(2S)-2-aminopropanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 97175447
ethyl 2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 82038278
2-methylpropyl (3R)-3-aminopyrrolidine-1-carboxylate
CID 94340136
2-methylpropyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 69398316

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 5-azaspiro[2.4]heptane-5-carboxylate?
The IUPAC name of 2-methylpropyl 5-azaspiro[2.4]heptane-5-carboxylate (CID 130256154) is 2-methylpropyl 5-azaspiro[2.4]heptane-5-carboxylate.
What is the SMILES notation for 2-methylpropyl 5-azaspiro[2.4]heptane-5-carboxylate?
The canonical SMILES for 2-methylpropyl 5-azaspiro[2.4]heptane-5-carboxylate is CC(C)COC(=O)N1CCC2(CC2)C1.
What is the InChIKey of 2-methylpropyl 5-azaspiro[2.4]heptane-5-carboxylate?
The InChIKey is XUBGLFKACYCFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(2)7-14-10(13)12-6-5-11(8-12)3-4-11/h9H,3-8H2,1-2H3.
What are the key properties of 2-methylpropyl 5-azaspiro[2.4]heptane-5-carboxylate?
2-methylpropyl 5-azaspiro[2.4]heptane-5-carboxylate has a molecular weight of 197.28 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 5-azaspiro[2.4]heptane-5-carboxylate is sourced from PubChem (CID 130256154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).