methyl 2-aminospiro[2.5]octane-2-carboxylate

C10H17NO2 — CID 10419851

IUPACmethyl 2-aminospiro[2.5]octane-2-carboxylate
SMILESCOC(=O)C1(N)CC12CCCCC2
InChIInChI=1S/C10H17NO2/c1-13-8(12)10(11)7-9(10)5-3-2-4-6-9/h2-7,11H2,1H3
InChIKeyXZCKEGBTWCATGN-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.21
Rot. Bonds1

About methyl 2-aminospiro[2.5]octane-2-carboxylate

methyl 2-aminospiro[2.5]octane-2-carboxylate (PubChem CID 10419851) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl 2-aminospiro[2.5]octane-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-aminospiro[2.5]octane-2-carboxylate
PubChem CID10419851
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl 2-aminospiro[2.5]octane-2-carboxylate
SMILESCOC(=O)C1(N)CC12CCCCC2
InChIInChI=1S/C10H17NO2/c1-13-8(12)10(11)7-9(10)5-3-2-4-6-9/h2-7,11H2,1H3
InChIKeyXZCKEGBTWCATGN-UHFFFAOYSA-N
XLogP1.21
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-aminospiro[2.5]octane-2-carboxylate?
The IUPAC name of methyl 2-aminospiro[2.5]octane-2-carboxylate (CID 10419851) is methyl 2-aminospiro[2.5]octane-2-carboxylate.
What is the SMILES notation for methyl 2-aminospiro[2.5]octane-2-carboxylate?
The canonical SMILES for methyl 2-aminospiro[2.5]octane-2-carboxylate is COC(=O)C1(N)CC12CCCCC2.
What is the InChIKey of methyl 2-aminospiro[2.5]octane-2-carboxylate?
The InChIKey is XZCKEGBTWCATGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-13-8(12)10(11)7-9(10)5-3-2-4-6-9/h2-7,11H2,1H3.
What are the key properties of methyl 2-aminospiro[2.5]octane-2-carboxylate?
methyl 2-aminospiro[2.5]octane-2-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-aminospiro[2.5]octane-2-carboxylate is sourced from PubChem (CID 10419851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).