methyl 2-aminospiro[3.3]heptane-2-carboxylate

C9H15NO2 — CID 69315246

IUPACmethyl 2-aminospiro[3.3]heptane-2-carboxylate
SMILESCOC(=O)C1(N)CC2(CCC2)C1
InChIInChI=1S/C9H15NO2/c1-12-7(11)9(10)5-8(6-9)3-2-4-8/h2-6,10H2,1H3
InChIKeyGASFARBVOCDRLO-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.82
Rot. Bonds1

About methyl 2-aminospiro[3.3]heptane-2-carboxylate

methyl 2-aminospiro[3.3]heptane-2-carboxylate (PubChem CID 69315246) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is methyl 2-aminospiro[3.3]heptane-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-aminospiro[3.3]heptane-2-carboxylate
PubChem CID69315246
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Namemethyl 2-aminospiro[3.3]heptane-2-carboxylate
SMILESCOC(=O)C1(N)CC2(CCC2)C1
InChIInChI=1S/C9H15NO2/c1-12-7(11)9(10)5-8(6-9)3-2-4-8/h2-6,10H2,1H3
InChIKeyGASFARBVOCDRLO-UHFFFAOYSA-N
XLogP0.82
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-aminospiro[3.3]heptane-2-carboxylate?
The IUPAC name of methyl 2-aminospiro[3.3]heptane-2-carboxylate (CID 69315246) is methyl 2-aminospiro[3.3]heptane-2-carboxylate.
What is the SMILES notation for methyl 2-aminospiro[3.3]heptane-2-carboxylate?
The canonical SMILES for methyl 2-aminospiro[3.3]heptane-2-carboxylate is COC(=O)C1(N)CC2(CCC2)C1.
What is the InChIKey of methyl 2-aminospiro[3.3]heptane-2-carboxylate?
The InChIKey is GASFARBVOCDRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-12-7(11)9(10)5-8(6-9)3-2-4-8/h2-6,10H2,1H3.
What are the key properties of methyl 2-aminospiro[3.3]heptane-2-carboxylate?
methyl 2-aminospiro[3.3]heptane-2-carboxylate has a molecular weight of 169.22 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-aminospiro[3.3]heptane-2-carboxylate is sourced from PubChem (CID 69315246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).