methyl (3S,3aR,6aR)-2-(furan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylate

C14H19NO3 — CID 129429470

IUPACmethyl (3S,3aR,6aR)-2-(furan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylate
SMILESCOC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccco1
InChIInChI=1S/C14H19NO3/c1-17-14(16)13-12-6-2-4-10(12)8-15(13)9-11-5-3-7-18-11/h3,5,7,10,12-13H,2,4,6,8-9H2,1H3/t10-,12+,13-/m0/s1
InChIKeyKCWRIZBNBAIIQF-UHTWSYAYSA-N
MW249.31 g/mol
LogP2.05
Rot. Bonds3

About methyl (3S,3aR,6aR)-2-(furan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylate

methyl (3S,3aR,6aR)-2-(furan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylate (PubChem CID 129429470) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl (3S,3aR,6aR)-2-(furan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S,3aR,6aR)-2-(furan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylate
PubChem CID129429470
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl (3S,3aR,6aR)-2-(furan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylate
SMILESCOC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccco1
InChIInChI=1S/C14H19NO3/c1-17-14(16)13-12-6-2-4-10(12)8-15(13)9-11-5-3-7-18-11/h3,5,7,10,12-13H,2,4,6,8-9H2,1H3/t10-,12+,13-/m0/s1
InChIKeyKCWRIZBNBAIIQF-UHTWSYAYSA-N
XLogP2.05
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (3S,3aR,6aR)-2-(furan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-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 (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylate
CID 26343664
methyl (3S,3aS,6aR)-2-(1,3-thiazol-5-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylate
CID 124829391
methyl 1-(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxylate
CID 112632882
methyl (3R,3aR,6aS)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylate
CID 99858195
methyl (3S,3aS,6aS)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylate
CID 99858196
2-O-benzyl 3-O-methyl (3S,3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2,3-dicarboxylate
CID 135317961
methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 42579834
(3R,3aR,7aS)-1-(furan-2-ylmethyl)-3-methoxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 124794268
(3S,3aS,7aR)-1-(furan-2-ylmethyl)-3-methoxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole;2,2,2-trifluoroacetic acid
CID 155854697
(2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 51440981
(2R,3S)-1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carboxylic acid
CID 96615458
(2R)-N-(cyclopentylmethyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 95738938

Frequently Asked Questions

What is the IUPAC name of methyl (3S,3aR,6aR)-2-(furan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylate?
The IUPAC name of methyl (3S,3aR,6aR)-2-(furan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylate (CID 129429470) is methyl (3S,3aR,6aR)-2-(furan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylate.
What is the SMILES notation for methyl (3S,3aR,6aR)-2-(furan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylate?
The canonical SMILES for methyl (3S,3aR,6aR)-2-(furan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylate is COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccco1.
What is the InChIKey of methyl (3S,3aR,6aR)-2-(furan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylate?
The InChIKey is KCWRIZBNBAIIQF-UHTWSYAYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-14(16)13-12-6-2-4-10(12)8-15(13)9-11-5-3-7-18-11/h3,5,7,10,12-13H,2,4,6,8-9H2,1H3/t10-,12+,13-/m0/s1.
What are the key properties of methyl (3S,3aR,6aR)-2-(furan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylate?
methyl (3S,3aR,6aR)-2-(furan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,3aR,6aR)-2-(furan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylate is sourced from PubChem (CID 129429470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).