ethyl 2-aminospiro[2.2]pentane-2-carboxylate;hydrochloride

C8H14ClNO2 — CID 167723800

IUPACethyl 2-aminospiro[2.2]pentane-2-carboxylate;hydrochloride
SMILESCCOC(=O)C1(N)CC12CC2.Cl
InChIInChI=1S/C8H13NO2.ClH/c1-2-11-6(10)8(9)5-7(8)3-4-7;/h2-5,9H2,1H3;1H
InChIKeyRYZRERWCJGOHCK-UHFFFAOYSA-N
MW191.66 g/mol
LogP0.85
Rot. Bonds2

About ethyl 2-aminospiro[2.2]pentane-2-carboxylate;hydrochloride

ethyl 2-aminospiro[2.2]pentane-2-carboxylate;hydrochloride (PubChem CID 167723800) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is ethyl 2-aminospiro[2.2]pentane-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-aminospiro[2.2]pentane-2-carboxylate;hydrochloride
PubChem CID167723800
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Nameethyl 2-aminospiro[2.2]pentane-2-carboxylate;hydrochloride
SMILESCCOC(=O)C1(N)CC12CC2.Cl
InChIInChI=1S/C8H13NO2.ClH/c1-2-11-6(10)8(9)5-7(8)3-4-7;/h2-5,9H2,1H3;1H
InChIKeyRYZRERWCJGOHCK-UHFFFAOYSA-N
XLogP0.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-aminospiro[2.2]pentane-2-carboxylate;hydrochloride?
The IUPAC name of ethyl 2-aminospiro[2.2]pentane-2-carboxylate;hydrochloride (CID 167723800) is ethyl 2-aminospiro[2.2]pentane-2-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 2-aminospiro[2.2]pentane-2-carboxylate;hydrochloride?
The canonical SMILES for ethyl 2-aminospiro[2.2]pentane-2-carboxylate;hydrochloride is CCOC(=O)C1(N)CC12CC2.Cl.
What is the InChIKey of ethyl 2-aminospiro[2.2]pentane-2-carboxylate;hydrochloride?
The InChIKey is RYZRERWCJGOHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2.ClH/c1-2-11-6(10)8(9)5-7(8)3-4-7;/h2-5,9H2,1H3;1H.
What are the key properties of ethyl 2-aminospiro[2.2]pentane-2-carboxylate;hydrochloride?
ethyl 2-aminospiro[2.2]pentane-2-carboxylate;hydrochloride has a molecular weight of 191.66 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-aminospiro[2.2]pentane-2-carboxylate;hydrochloride is sourced from PubChem (CID 167723800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).