(3aR,6S,6aR)-N-methyl-4-(oxolane-3-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide

C13H20N2O4 — CID 131639198

IUPAC(3aR,6S,6aR)-N-methyl-4-(oxolane-3-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
SMILESCNC(=O)[C@H]1CN(C(=O)C2CCOC2)[C@@H]2CCO[C@H]12
InChIInChI=1S/C13H20N2O4/c1-14-12(16)9-6-15(10-3-5-19-11(9)10)13(17)8-2-4-18-7-8/h8-11H,2-7H2,1H3,(H,14,16)/t8?,9-,10+,11+/m0/s1
InChIKeyRADFQZOPTNJRJO-NVEZCULWSA-N
MW268.31 g/mol
LogP-0.62
Rot. Bonds2

About (3aR,6S,6aR)-N-methyl-4-(oxolane-3-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide

(3aR,6S,6aR)-N-methyl-4-(oxolane-3-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide (PubChem CID 131639198) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is (3aR,6S,6aR)-N-methyl-4-(oxolane-3-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide.

Molecular Properties

Compound Name(3aR,6S,6aR)-N-methyl-4-(oxolane-3-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
PubChem CID131639198
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name(3aR,6S,6aR)-N-methyl-4-(oxolane-3-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
SMILESCNC(=O)[C@H]1CN(C(=O)C2CCOC2)[C@@H]2CCO[C@H]12
InChIInChI=1S/C13H20N2O4/c1-14-12(16)9-6-15(10-3-5-19-11(9)10)13(17)8-2-4-18-7-8/h8-11H,2-7H2,1H3,(H,14,16)/t8?,9-,10+,11+/m0/s1
InChIKeyRADFQZOPTNJRJO-NVEZCULWSA-N
XLogP-0.62
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aR,6S,6aR)-N-methyl-4-(oxolane-3-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide 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

(3aR,6S,6aR)-N-methyl-4-[(3R)-oxolane-3-carbonyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
CID 98894479
(3aS,6R,6aS)-N-methyl-4-(thiophene-2-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
CID 124802151
(3aR,6S,6aR)-N-methyl-4-(1,3-thiazole-4-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
CID 98894873
(3aR,6S,6aR)-N-methyl-4-[(2-methylpyrimidin-5-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
CID 98895494
[(3S)-3-methylmorpholin-4-yl]-(oxolan-3-yl)methanone
CID 130180210
(3aR,6S,6aR)-N-methyl-4-[(5-methylthiophen-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
CID 98895085
[(3R)-3-(methylamino)pyrrolidin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 172646277
[2-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 119261296
[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95294899
4-[3-(methylcarbamoyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 83104998
(3,5-dimethylpiperazin-1-yl)-(oxolan-3-yl)methanone
CID 63872887
[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(oxolan-3-yl)methanone
CID 133137430

Frequently Asked Questions

What is the IUPAC name of (3aR,6S,6aR)-N-methyl-4-(oxolane-3-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
The IUPAC name of (3aR,6S,6aR)-N-methyl-4-(oxolane-3-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide (CID 131639198) is (3aR,6S,6aR)-N-methyl-4-(oxolane-3-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide.
What is the SMILES notation for (3aR,6S,6aR)-N-methyl-4-(oxolane-3-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
The canonical SMILES for (3aR,6S,6aR)-N-methyl-4-(oxolane-3-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide is CNC(=O)[C@H]1CN(C(=O)C2CCOC2)[C@@H]2CCO[C@H]12.
What is the InChIKey of (3aR,6S,6aR)-N-methyl-4-(oxolane-3-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
The InChIKey is RADFQZOPTNJRJO-NVEZCULWSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-14-12(16)9-6-15(10-3-5-19-11(9)10)13(17)8-2-4-18-7-8/h8-11H,2-7H2,1H3,(H,14,16)/t8?,9-,10+,11+/m0/s1.
What are the key properties of (3aR,6S,6aR)-N-methyl-4-(oxolane-3-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
(3aR,6S,6aR)-N-methyl-4-(oxolane-3-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide has a molecular weight of 268.31 g/mol, XLogP of -0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S,6aR)-N-methyl-4-(oxolane-3-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide is sourced from PubChem (CID 131639198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).