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

C7H12ClNO2 — CID 67031096

IUPACmethyl 2-aminospiro[2.2]pentane-2-carboxylate;hydrochloride
SMILESCOC(=O)C1(N)CC12CC2.Cl
InChIInChI=1S/C7H11NO2.ClH/c1-10-5(9)7(8)4-6(7)2-3-6;/h2-4,8H2,1H3;1H
InChIKeyDCFADFLNMMJLBX-UHFFFAOYSA-N
MW177.63 g/mol
LogP0.46
Rot. Bonds1

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

methyl 2-aminospiro[2.2]pentane-2-carboxylate;hydrochloride (PubChem CID 67031096) has the molecular formula C7H12ClNO2 and a molecular weight of 177.63 g/mol. Its IUPAC name is methyl 2-aminospiro[2.2]pentane-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-aminospiro[2.2]pentane-2-carboxylate;hydrochloride
PubChem CID67031096
Molecular FormulaC7H12ClNO2
Molecular Weight177.63 g/mol
Exact Mass177.06
IUPAC Namemethyl 2-aminospiro[2.2]pentane-2-carboxylate;hydrochloride
SMILESCOC(=O)C1(N)CC12CC2.Cl
InChIInChI=1S/C7H11NO2.ClH/c1-10-5(9)7(8)4-6(7)2-3-6;/h2-4,8H2,1H3;1H
InChIKeyDCFADFLNMMJLBX-UHFFFAOYSA-N
XLogP0.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-aminospiro[2.2]pentane-2-carboxylate;hydrochloride?
The IUPAC name of methyl 2-aminospiro[2.2]pentane-2-carboxylate;hydrochloride (CID 67031096) is methyl 2-aminospiro[2.2]pentane-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2-aminospiro[2.2]pentane-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 2-aminospiro[2.2]pentane-2-carboxylate;hydrochloride is COC(=O)C1(N)CC12CC2.Cl.
What is the InChIKey of methyl 2-aminospiro[2.2]pentane-2-carboxylate;hydrochloride?
The InChIKey is DCFADFLNMMJLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2.ClH/c1-10-5(9)7(8)4-6(7)2-3-6;/h2-4,8H2,1H3;1H.
What are the key properties of methyl 2-aminospiro[2.2]pentane-2-carboxylate;hydrochloride?
methyl 2-aminospiro[2.2]pentane-2-carboxylate;hydrochloride has a molecular weight of 177.63 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-aminospiro[2.2]pentane-2-carboxylate;hydrochloride is sourced from PubChem (CID 67031096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).