methyl 3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate

C10H18N2O2 — CID 130597885

IUPACmethyl 3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
SMILESCOC(=O)N1CC2CCCC2(CN)C1
InChIInChI=1S/C10H18N2O2/c1-14-9(13)12-5-8-3-2-4-10(8,6-11)7-12/h8H,2-7,11H2,1H3
InChIKeyYMSDMKDNWBFHEM-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.81
Rot. Bonds1

About methyl 3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate

methyl 3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate (PubChem CID 130597885) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is methyl 3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
PubChem CID130597885
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Namemethyl 3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
SMILESCOC(=O)N1CC2CCCC2(CN)C1
InChIInChI=1S/C10H18N2O2/c1-14-9(13)12-5-8-3-2-4-10(8,6-11)7-12/h8H,2-7,11H2,1H3
InChIKeyYMSDMKDNWBFHEM-UHFFFAOYSA-N
XLogP0.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate?
The IUPAC name of methyl 3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate (CID 130597885) is methyl 3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate?
The canonical SMILES for methyl 3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate is COC(=O)N1CC2CCCC2(CN)C1.
What is the InChIKey of methyl 3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate?
The InChIKey is YMSDMKDNWBFHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-14-9(13)12-5-8-3-2-4-10(8,6-11)7-12/h8H,2-7,11H2,1H3.
What are the key properties of methyl 3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate?
methyl 3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate has a molecular weight of 198.27 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate is sourced from PubChem (CID 130597885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).