methyl 2-amino-5-thiaspiro[2.4]heptane-2-carboxylate

C8H13NO2S — CID 84661088

IUPACmethyl 2-amino-5-thiaspiro[2.4]heptane-2-carboxylate
SMILESCOC(=O)C1(N)CC12CCSC2
InChIInChI=1S/C8H13NO2S/c1-11-6(10)8(9)4-7(8)2-3-12-5-7/h2-5,9H2,1H3
InChIKeyJQTZLLUMCOFHBM-UHFFFAOYSA-N
MW187.26 g/mol
LogP0.38
Rot. Bonds1

About methyl 2-amino-5-thiaspiro[2.4]heptane-2-carboxylate

methyl 2-amino-5-thiaspiro[2.4]heptane-2-carboxylate (PubChem CID 84661088) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is methyl 2-amino-5-thiaspiro[2.4]heptane-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-thiaspiro[2.4]heptane-2-carboxylate
PubChem CID84661088
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Namemethyl 2-amino-5-thiaspiro[2.4]heptane-2-carboxylate
SMILESCOC(=O)C1(N)CC12CCSC2
InChIInChI=1S/C8H13NO2S/c1-11-6(10)8(9)4-7(8)2-3-12-5-7/h2-5,9H2,1H3
InChIKeyJQTZLLUMCOFHBM-UHFFFAOYSA-N
XLogP0.38
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-amino-5-thiaspiro[2.4]heptane-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 2-amino-6-(cyclopentylmethylsulfanyl)-2-methylhexanoate
CID 55178311
Methyl 2-amino-6-cyclopentylsulfanyl-2-methylhexanoate
CID 55178479
Methyl 2-amino-6-butylsulfanyl-2-methylhexanoate
CID 61931314
Methyl 2-amino-6-ethylsulfanyl-2-methylhexanoate
CID 61933233
Methyl 2-amino-2-methyl-6-propylsulfanylhexanoate
CID 61933471
Methyl 2-amino-6-butan-2-ylsulfanyl-2-methylhexanoate
CID 61934486
Methyl 2-amino-6-tert-butylsulfanyl-2-methylhexanoate
CID 61935724
Methyl 2-amino-2-methyl-6-propan-2-ylsulfanylhexanoate
CID 61945732
Methyl 2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropanoate
CID 63918896
Methyl 1-amino-3-butan-2-ylsulfanylcyclopentane-1-carboxylate
CID 79653598
Methyl 1-amino-3-propan-2-ylsulfanylcyclopentane-1-carboxylate
CID 79653709
Methyl 1-amino-3-ethylsulfanylcyclopentane-1-carboxylate
CID 79653988

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-thiaspiro[2.4]heptane-2-carboxylate?
The IUPAC name of methyl 2-amino-5-thiaspiro[2.4]heptane-2-carboxylate (CID 84661088) is methyl 2-amino-5-thiaspiro[2.4]heptane-2-carboxylate.
What is the SMILES notation for methyl 2-amino-5-thiaspiro[2.4]heptane-2-carboxylate?
The canonical SMILES for methyl 2-amino-5-thiaspiro[2.4]heptane-2-carboxylate is COC(=O)C1(N)CC12CCSC2.
What is the InChIKey of methyl 2-amino-5-thiaspiro[2.4]heptane-2-carboxylate?
The InChIKey is JQTZLLUMCOFHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-11-6(10)8(9)4-7(8)2-3-12-5-7/h2-5,9H2,1H3.
What are the key properties of methyl 2-amino-5-thiaspiro[2.4]heptane-2-carboxylate?
methyl 2-amino-5-thiaspiro[2.4]heptane-2-carboxylate has a molecular weight of 187.26 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-thiaspiro[2.4]heptane-2-carboxylate is sourced from PubChem (CID 84661088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).