methyl 2-(aminomethyl)spiro[2.4]heptane-2-carboxylate

C10H17NO2 — CID 11298342

IUPACmethyl 2-(aminomethyl)spiro[2.4]heptane-2-carboxylate
SMILESCOC(=O)C1(CN)CC12CCCC2
InChIInChI=1S/C10H17NO2/c1-13-8(12)10(7-11)6-9(10)4-2-3-5-9/h2-7,11H2,1H3
InChIKeyVWBMKZXMDQPIQY-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.07
Rot. Bonds2

About methyl 2-(aminomethyl)spiro[2.4]heptane-2-carboxylate

methyl 2-(aminomethyl)spiro[2.4]heptane-2-carboxylate (PubChem CID 11298342) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl 2-(aminomethyl)spiro[2.4]heptane-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-(aminomethyl)spiro[2.4]heptane-2-carboxylate
PubChem CID11298342
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl 2-(aminomethyl)spiro[2.4]heptane-2-carboxylate
SMILESCOC(=O)C1(CN)CC12CCCC2
InChIInChI=1S/C10H17NO2/c1-13-8(12)10(7-11)6-9(10)4-2-3-5-9/h2-7,11H2,1H3
InChIKeyVWBMKZXMDQPIQY-UHFFFAOYSA-N
XLogP1.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethyl)spiro[2.4]heptane-2-carboxylate?
The IUPAC name of methyl 2-(aminomethyl)spiro[2.4]heptane-2-carboxylate (CID 11298342) is methyl 2-(aminomethyl)spiro[2.4]heptane-2-carboxylate.
What is the SMILES notation for methyl 2-(aminomethyl)spiro[2.4]heptane-2-carboxylate?
The canonical SMILES for methyl 2-(aminomethyl)spiro[2.4]heptane-2-carboxylate is COC(=O)C1(CN)CC12CCCC2.
What is the InChIKey of methyl 2-(aminomethyl)spiro[2.4]heptane-2-carboxylate?
The InChIKey is VWBMKZXMDQPIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-13-8(12)10(7-11)6-9(10)4-2-3-5-9/h2-7,11H2,1H3.
What are the key properties of methyl 2-(aminomethyl)spiro[2.4]heptane-2-carboxylate?
methyl 2-(aminomethyl)spiro[2.4]heptane-2-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(aminomethyl)spiro[2.4]heptane-2-carboxylate is sourced from PubChem (CID 11298342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).