methyl 2-aminospiro[2.4]heptane-2-carboxylate;hydrochloride

C9H16ClNO2 — CID 67031572

IUPACmethyl 2-aminospiro[2.4]heptane-2-carboxylate;hydrochloride
SMILESCOC(=O)C1(N)CC12CCCC2.Cl
InChIInChI=1S/C9H15NO2.ClH/c1-12-7(11)9(10)6-8(9)4-2-3-5-8;/h2-6,10H2,1H3;1H
InChIKeyHUXAVFBFZGUYOL-UHFFFAOYSA-N
MW205.68 g/mol
LogP1.24
Rot. Bonds1

About methyl 2-aminospiro[2.4]heptane-2-carboxylate;hydrochloride

methyl 2-aminospiro[2.4]heptane-2-carboxylate;hydrochloride (PubChem CID 67031572) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is methyl 2-aminospiro[2.4]heptane-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-aminospiro[2.4]heptane-2-carboxylate;hydrochloride
PubChem CID67031572
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Namemethyl 2-aminospiro[2.4]heptane-2-carboxylate;hydrochloride
SMILESCOC(=O)C1(N)CC12CCCC2.Cl
InChIInChI=1S/C9H15NO2.ClH/c1-12-7(11)9(10)6-8(9)4-2-3-5-8;/h2-6,10H2,1H3;1H
InChIKeyHUXAVFBFZGUYOL-UHFFFAOYSA-N
XLogP1.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 67031096
methyl 10-aminospiro[4.5]decane-10-carboxylate
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methyl 2-amino-6-thiaspiro[2.5]octane-2-carboxylate
CID 84670226
methyl 2-amino-5-oxaspiro[2.5]octane-2-carboxylate
CID 84660136
methyl (2S,3R)-2-amino-5-oxaspiro[2.5]octane-2-carboxylate
CID 129407677
methyl 1-(1-aminocyclopropyl)cyclopentane-1-carboxylate
CID 115016491
6-O-tert-butyl 2-O-methyl 2-amino-6-azaspiro[2.5]octane-2,6-dicarboxylate
CID 84715284
5-O-tert-butyl 2-O-methyl 2-amino-5-azaspiro[2.4]heptane-2,5-dicarboxylate
CID 84712725
methyl 4-aminobicyclo[2.2.2]octane-1-carboxylate;hydrochloride
CID 67216420
methyl 1-amino-2,2-bis(2-aminopropanoyl)cyclobutane-1-carboxylate
CID 67827972
methyl (1S)-1-amino-2,2-diethylcyclopropane-1-carboxylate
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methyl 1-amino-2,2,3,3-tetrafluorocyclobutane-1-carboxylate
CID 167715905

Frequently Asked Questions

What is the IUPAC name of methyl 2-aminospiro[2.4]heptane-2-carboxylate;hydrochloride?
The IUPAC name of methyl 2-aminospiro[2.4]heptane-2-carboxylate;hydrochloride (CID 67031572) is methyl 2-aminospiro[2.4]heptane-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2-aminospiro[2.4]heptane-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 2-aminospiro[2.4]heptane-2-carboxylate;hydrochloride is COC(=O)C1(N)CC12CCCC2.Cl.
What is the InChIKey of methyl 2-aminospiro[2.4]heptane-2-carboxylate;hydrochloride?
The InChIKey is HUXAVFBFZGUYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2.ClH/c1-12-7(11)9(10)6-8(9)4-2-3-5-8;/h2-6,10H2,1H3;1H.
What are the key properties of methyl 2-aminospiro[2.4]heptane-2-carboxylate;hydrochloride?
methyl 2-aminospiro[2.4]heptane-2-carboxylate;hydrochloride has a molecular weight of 205.68 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-aminospiro[2.4]heptane-2-carboxylate;hydrochloride is sourced from PubChem (CID 67031572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).