tert-butyl N-[(3aS,4R,6aR)-2-(furan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate

C17H26N2O3 — CID 100895333

IUPACtert-butyl N-[(3aS,4R,6aR)-2-(furan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(Cc3ccco3)C[C@H]21
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)18-15-7-6-12-9-19(11-14(12)15)10-13-5-4-8-21-13/h4-5,8,12,14-15H,6-7,9-11H2,1-3H3,(H,18,20)/t12-,14+,15+/m0/s1
InChIKeyAEYRHMJLCOXQFM-NWANDNLSSA-N
MW306.41 g/mol
LogP3.01
Rot. Bonds3

About tert-butyl N-[(3aS,4R,6aR)-2-(furan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate

tert-butyl N-[(3aS,4R,6aR)-2-(furan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate (PubChem CID 100895333) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl N-[(3aS,4R,6aR)-2-(furan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3aS,4R,6aR)-2-(furan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate
PubChem CID100895333
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl N-[(3aS,4R,6aR)-2-(furan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(Cc3ccco3)C[C@H]21
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)18-15-7-6-12-9-19(11-14(12)15)10-13-5-4-8-21-13/h4-5,8,12,14-15H,6-7,9-11H2,1-3H3,(H,18,20)/t12-,14+,15+/m0/s1
InChIKeyAEYRHMJLCOXQFM-NWANDNLSSA-N
XLogP3.01
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(3aS,4R,6aR)-2-(furan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(3aS,4R,6aR)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate;tert-butyl N-[(3aR,4S,6aS)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate
CID 78358060
tert-butyl N-[(3aS,4R,6aS)-2-[(5-cyanofuran-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate
CID 98888918
tert-butyl N-[(3S)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]carbamate
CID 139674621
tert-butyl N-[(3aR,4S,6aR)-2-[(1-methylpyrrol-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate
CID 129398618
tert-butyl N-[(3aS,4R,6aR)-2-(pyridin-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate
CID 100895158
tert-butyl N-[(3aS,4R,6aS)-2-(furan-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate
CID 100899117
tert-butyl N-[(3aR,4R,6aR)-2-[(2-ethylpyrazol-3-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate
CID 129429197
tert-butyl N-[(3R,4R)-1-benzyl-4-cyclopropylpyrrolidin-3-yl]carbamate
CID 102069021
tert-butyl N-[(3aS,4R,6aR)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate
CID 99854546
tert-butyl N-[(3aR,4R,6aR)-2-(quinolin-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate
CID 100686143
tert-butyl N-[4-(furan-2-ylmethylamino)cyclohexyl]carbamate
CID 78998933
tert-butyl N-[4-[[4-(furan-2-ylmethyl)piperazine-1-carbonyl]amino]phenyl]carbamate
CID 86892866

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3aS,4R,6aR)-2-(furan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate?
The IUPAC name of tert-butyl N-[(3aS,4R,6aR)-2-(furan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate (CID 100895333) is tert-butyl N-[(3aS,4R,6aR)-2-(furan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3aS,4R,6aR)-2-(furan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3aS,4R,6aR)-2-(furan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(Cc3ccco3)C[C@H]21.
What is the InChIKey of tert-butyl N-[(3aS,4R,6aR)-2-(furan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate?
The InChIKey is AEYRHMJLCOXQFM-NWANDNLSSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)18-15-7-6-12-9-19(11-14(12)15)10-13-5-4-8-21-13/h4-5,8,12,14-15H,6-7,9-11H2,1-3H3,(H,18,20)/t12-,14+,15+/m0/s1.
What are the key properties of tert-butyl N-[(3aS,4R,6aR)-2-(furan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate?
tert-butyl N-[(3aS,4R,6aR)-2-(furan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate has a molecular weight of 306.41 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3aS,4R,6aR)-2-(furan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate is sourced from PubChem (CID 100895333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).