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

C10H17NO2 — CID 121207783

IUPACethyl 2-aminospiro[3.3]heptane-2-carboxylate
SMILESCCOC(=O)C1(N)CC2(CCC2)C1
InChIInChI=1S/C10H17NO2/c1-2-13-8(12)10(11)6-9(7-10)4-3-5-9/h2-7,11H2,1H3
InChIKeyAQEUFYYGEDPHLC-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.21
Rot. Bonds2

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

ethyl 2-aminospiro[3.3]heptane-2-carboxylate (PubChem CID 121207783) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is ethyl 2-aminospiro[3.3]heptane-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-aminospiro[3.3]heptane-2-carboxylate
PubChem CID121207783
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nameethyl 2-aminospiro[3.3]heptane-2-carboxylate
SMILESCCOC(=O)C1(N)CC2(CCC2)C1
InChIInChI=1S/C10H17NO2/c1-2-13-8(12)10(11)6-9(7-10)4-3-5-9/h2-7,11H2,1H3
InChIKeyAQEUFYYGEDPHLC-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-aminospiro[3.3]heptane-2-carboxylate?
The IUPAC name of ethyl 2-aminospiro[3.3]heptane-2-carboxylate (CID 121207783) is ethyl 2-aminospiro[3.3]heptane-2-carboxylate.
What is the SMILES notation for ethyl 2-aminospiro[3.3]heptane-2-carboxylate?
The canonical SMILES for ethyl 2-aminospiro[3.3]heptane-2-carboxylate is CCOC(=O)C1(N)CC2(CCC2)C1.
What is the InChIKey of ethyl 2-aminospiro[3.3]heptane-2-carboxylate?
The InChIKey is AQEUFYYGEDPHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-13-8(12)10(11)6-9(7-10)4-3-5-9/h2-7,11H2,1H3.
What are the key properties of ethyl 2-aminospiro[3.3]heptane-2-carboxylate?
ethyl 2-aminospiro[3.3]heptane-2-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-aminospiro[3.3]heptane-2-carboxylate is sourced from PubChem (CID 121207783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).