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

C10H17NO2 — CID 50941594

IUPACmethyl (3aS,6aS)-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxylate
SMILESCOC(=O)N1CC[C@]2(C)CCC[C@H]12
InChIInChI=1S/C10H17NO2/c1-10-5-3-4-8(10)11(7-6-10)9(12)13-2/h8H,3-7H2,1-2H3/t8-,10-/m0/s1
InChIKeyWDFQXVLUZBJZSL-WPRPVWTQSA-N
MW183.25 g/mol
LogP2.02
Rot. Bonds

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

methyl (3aS,6aS)-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxylate (PubChem CID 50941594) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl (3aS,6aS)-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxylate.

Molecular Properties

Compound Namemethyl (3aS,6aS)-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxylate
PubChem CID50941594
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl (3aS,6aS)-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxylate
SMILESCOC(=O)N1CC[C@]2(C)CCC[C@H]12
InChIInChI=1S/C10H17NO2/c1-10-5-3-4-8(10)11(7-6-10)9(12)13-2/h8H,3-7H2,1-2H3/t8-,10-/m0/s1
InChIKeyWDFQXVLUZBJZSL-WPRPVWTQSA-N
XLogP2.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl (3aS,6aS)-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxylate with MolForge

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Related Compounds

methyl (3aS,7aS)-3a-(3,4-dimethoxyphenyl)-3,4,5,6,7,7a-hexahydro-2H-indole-1-carboxylate
CID 10781901
tert-butyl (3aR,6aR)-3a-amino-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxylate
CID 124703885
(3aR,6aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3a-carboxylic acid
CID 99945788
methyl 2-methoxyazetidine-1-carboxylate
CID 139914058
methyl (5S,7aR)-3a-methyl-5-[methyl-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]-3,4,5,6,7,7a-hexahydro-2H-indole-1-carboxylate
CID 67426275
N-(cyclopropylmethyl)-N'-[1-[5-(methoxymethyl)furan-2-carbonyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl]oxamide
CID 138048893
methyl (2R)-2-(chlorosulfonylamino)piperidine-1-carboxylate
CID 141034035
methyl 2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxylate
CID 89278598
methyl 2-(2-hydroxycyclopentyl)pyrrolidine-1-carboxylate
CID 79544161
methyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate
CID 115606581
methyl 4-hydroxy-3,3-dimethylpiperidine-1-carboxylate
CID 115269670
dimethyl (3aS,8bR)-8b-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole-3,4-dicarboxylate
CID 101206326

Frequently Asked Questions

What is the IUPAC name of methyl (3aS,6aS)-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxylate?
The IUPAC name of methyl (3aS,6aS)-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxylate (CID 50941594) is methyl (3aS,6aS)-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxylate.
What is the SMILES notation for methyl (3aS,6aS)-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxylate?
The canonical SMILES for methyl (3aS,6aS)-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxylate is COC(=O)N1CC[C@]2(C)CCC[C@H]12.
What is the InChIKey of methyl (3aS,6aS)-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxylate?
The InChIKey is WDFQXVLUZBJZSL-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10-5-3-4-8(10)11(7-6-10)9(12)13-2/h8H,3-7H2,1-2H3/t8-,10-/m0/s1.
What are the key properties of methyl (3aS,6aS)-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxylate?
methyl (3aS,6aS)-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3aS,6aS)-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxylate is sourced from PubChem (CID 50941594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).