methyl 10-aminospiro[4.5]decane-10-carboxylate

C12H21NO2 — CID 83909665

IUPACmethyl 10-aminospiro[4.5]decane-10-carboxylate
SMILESCOC(=O)C1(N)CCCCC12CCCC2
InChIInChI=1S/C12H21NO2/c1-15-10(14)12(13)9-5-4-8-11(12)6-2-3-7-11/h2-9,13H2,1H3
InChIKeyZFESXUXKJFLBOM-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.99
Rot. Bonds1

About methyl 10-aminospiro[4.5]decane-10-carboxylate

methyl 10-aminospiro[4.5]decane-10-carboxylate (PubChem CID 83909665) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is methyl 10-aminospiro[4.5]decane-10-carboxylate.

Molecular Properties

Compound Namemethyl 10-aminospiro[4.5]decane-10-carboxylate
PubChem CID83909665
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Namemethyl 10-aminospiro[4.5]decane-10-carboxylate
SMILESCOC(=O)C1(N)CCCCC12CCCC2
InChIInChI=1S/C12H21NO2/c1-15-10(14)12(13)9-5-4-8-11(12)6-2-3-7-11/h2-9,13H2,1H3
InChIKeyZFESXUXKJFLBOM-UHFFFAOYSA-N
XLogP1.99
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl 2-aminospiro[2.2]pentane-2-carboxylate;hydrochloride
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methyl 2-amino-5-oxaspiro[2.5]octane-2-carboxylate
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methyl (2S,3R)-2-amino-5-oxaspiro[2.5]octane-2-carboxylate
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methyl 1-amino-2-methoxycyclohexane-1-carboxylate
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methyl 2-amino-6-thiaspiro[2.5]octane-2-carboxylate
CID 84670226
methyl 1-amino-2,2-bis(2-aminopropanoyl)cyclobutane-1-carboxylate
CID 67827972
methyl (1S)-1-amino-2,2-diethylcyclopropane-1-carboxylate
CID 129385459
methyl 1-amino-2,2,3,3-tetrafluorocyclobutane-1-carboxylate
CID 167715905
methyl 4-aminobicyclo[2.2.2]octane-1-carboxylate;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of methyl 10-aminospiro[4.5]decane-10-carboxylate?
The IUPAC name of methyl 10-aminospiro[4.5]decane-10-carboxylate (CID 83909665) is methyl 10-aminospiro[4.5]decane-10-carboxylate.
What is the SMILES notation for methyl 10-aminospiro[4.5]decane-10-carboxylate?
The canonical SMILES for methyl 10-aminospiro[4.5]decane-10-carboxylate is COC(=O)C1(N)CCCCC12CCCC2.
What is the InChIKey of methyl 10-aminospiro[4.5]decane-10-carboxylate?
The InChIKey is ZFESXUXKJFLBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-15-10(14)12(13)9-5-4-8-11(12)6-2-3-7-11/h2-9,13H2,1H3.
What are the key properties of methyl 10-aminospiro[4.5]decane-10-carboxylate?
methyl 10-aminospiro[4.5]decane-10-carboxylate has a molecular weight of 211.30 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-aminospiro[4.5]decane-10-carboxylate is sourced from PubChem (CID 83909665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).