ethyl 2-amino-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-3-carboxylate

C11H16N2O2 — CID 124705642

IUPACethyl 2-amino-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-3-carboxylate
SMILESCCOC(=O)c1c2c(c(C)n1N)CCC2
InChIInChI=1S/C11H16N2O2/c1-3-15-11(14)10-9-6-4-5-8(9)7(2)13(10)12/h3-6,12H2,1-2H3
InChIKeyZWBLRPVUYXBPMV-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.18
Rot. Bonds2

About ethyl 2-amino-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-3-carboxylate

ethyl 2-amino-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-3-carboxylate (PubChem CID 124705642) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is ethyl 2-amino-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-3-carboxylate
PubChem CID124705642
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Nameethyl 2-amino-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-3-carboxylate
SMILESCCOC(=O)c1c2c(c(C)n1N)CCC2
InChIInChI=1S/C11H16N2O2/c1-3-15-11(14)10-9-6-4-5-8(9)7(2)13(10)12/h3-6,12H2,1-2H3
InChIKeyZWBLRPVUYXBPMV-UHFFFAOYSA-N
XLogP1.18
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-3-carboxylate?
The IUPAC name of ethyl 2-amino-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-3-carboxylate (CID 124705642) is ethyl 2-amino-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2-amino-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-3-carboxylate is CCOC(=O)c1c2c(c(C)n1N)CCC2.
What is the InChIKey of ethyl 2-amino-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-3-carboxylate?
The InChIKey is ZWBLRPVUYXBPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-15-11(14)10-9-6-4-5-8(9)7(2)13(10)12/h3-6,12H2,1-2H3.
What are the key properties of ethyl 2-amino-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-3-carboxylate?
ethyl 2-amino-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-3-carboxylate has a molecular weight of 208.26 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-3-carboxylate is sourced from PubChem (CID 124705642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).