(3aR,6aS)-N-cyclopentyl-1-[(5-methylfuran-2-yl)methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide

C18H27N3O2 — CID 97459261

IUPAC(3aR,6aS)-N-cyclopentyl-1-[(5-methylfuran-2-yl)methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide
SMILESCc1ccc(CN2CC[C@@H]3[C@@H]2CCN3C(=O)NC2CCCC2)o1
InChIInChI=1S/C18H27N3O2/c1-13-6-7-15(23-13)12-20-10-8-17-16(20)9-11-21(17)18(22)19-14-4-2-3-5-14/h6-7,14,16-17H,2-5,8-12H2,1H3,(H,19,22)/t16-,17+/m0/s1
InChIKeyUCLBTYVDPYQSOC-DLBZAZTESA-N
MW317.43 g/mol
LogP2.89
Rot. Bonds3

About (3aR,6aS)-N-cyclopentyl-1-[(5-methylfuran-2-yl)methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide

(3aR,6aS)-N-cyclopentyl-1-[(5-methylfuran-2-yl)methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide (PubChem CID 97459261) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (3aR,6aS)-N-cyclopentyl-1-[(5-methylfuran-2-yl)methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide.

Molecular Properties

Compound Name(3aR,6aS)-N-cyclopentyl-1-[(5-methylfuran-2-yl)methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide
PubChem CID97459261
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(3aR,6aS)-N-cyclopentyl-1-[(5-methylfuran-2-yl)methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide
SMILESCc1ccc(CN2CC[C@@H]3[C@@H]2CCN3C(=O)NC2CCCC2)o1
InChIInChI=1S/C18H27N3O2/c1-13-6-7-15(23-13)12-20-10-8-17-16(20)9-11-21(17)18(22)19-14-4-2-3-5-14/h6-7,14,16-17H,2-5,8-12H2,1H3,(H,19,22)/t16-,17+/m0/s1
InChIKeyUCLBTYVDPYQSOC-DLBZAZTESA-N
XLogP2.89
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aR,6aS)-N-cyclopentyl-1-[(5-methylfuran-2-yl)methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide with MolForge

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Related Compounds

N-cyclobutyl-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide
CID 4677844
(3aS,6aR)-4-[(5-methylfuran-2-yl)methyl]-1-prop-2-enyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 124815874
[(3aR,6aS)-1-[(5-methylfuran-2-yl)methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155823418
(3aR,6aS)-1-[(5-methylfuran-2-yl)methyl]-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 124521499
methyl 1-[(5-methylfuran-2-yl)methyl]azetidine-2-carboxylate
CID 112581410
(3aS,6aR)-1-[(5-methylfuran-2-yl)methyl]-4-pyrimidin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;2,2,2-trifluoroacetic acid
CID 171696916
2-[1-[(5-methylfuran-2-yl)methyl]piperidin-2-yl]acetic acid
CID 54899724
(3aS,6aR)-4-[(5-methylfuran-2-yl)methyl]-1-[[(3R)-oxolan-3-yl]methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 98777209
(3aS,6aR)-4-[(5-methylfuran-2-yl)methyl]-1-[[(3S)-oxolan-3-yl]methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 124521497
(3aS,6aR)-4-[(5-methylfuran-2-yl)methyl]-1-(oxolan-3-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 131660413
4-[[(3aR,6aS)-1-[(5-methylfuran-2-yl)methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]methyl]-3,5-dimethyl-1,2-oxazole;bis(2,2,2-trifluoroacetic acid)
CID 155840199
(3aR,6aS)-1-[(5-methylfuran-2-yl)methyl]-4-(oxolan-3-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 131650842

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-N-cyclopentyl-1-[(5-methylfuran-2-yl)methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide?
The IUPAC name of (3aR,6aS)-N-cyclopentyl-1-[(5-methylfuran-2-yl)methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide (CID 97459261) is (3aR,6aS)-N-cyclopentyl-1-[(5-methylfuran-2-yl)methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide.
What is the SMILES notation for (3aR,6aS)-N-cyclopentyl-1-[(5-methylfuran-2-yl)methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide?
The canonical SMILES for (3aR,6aS)-N-cyclopentyl-1-[(5-methylfuran-2-yl)methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide is Cc1ccc(CN2CC[C@@H]3[C@@H]2CCN3C(=O)NC2CCCC2)o1.
What is the InChIKey of (3aR,6aS)-N-cyclopentyl-1-[(5-methylfuran-2-yl)methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide?
The InChIKey is UCLBTYVDPYQSOC-DLBZAZTESA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13-6-7-15(23-13)12-20-10-8-17-16(20)9-11-21(17)18(22)19-14-4-2-3-5-14/h6-7,14,16-17H,2-5,8-12H2,1H3,(H,19,22)/t16-,17+/m0/s1.
What are the key properties of (3aR,6aS)-N-cyclopentyl-1-[(5-methylfuran-2-yl)methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide?
(3aR,6aS)-N-cyclopentyl-1-[(5-methylfuran-2-yl)methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-N-cyclopentyl-1-[(5-methylfuran-2-yl)methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide is sourced from PubChem (CID 97459261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).