2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

C13H18N4O4 — CID 106402750

IUPAC2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
SMILESCc1nc(CNC(=O)N2CC3CCCC3C2C(=O)O)no1
InChIInChI=1S/C13H18N4O4/c1-7-15-10(16-21-7)5-14-13(20)17-6-8-3-2-4-9(8)11(17)12(18)19/h8-9,11H,2-6H2,1H3,(H,14,20)(H,18,19)
InChIKeyOHDVCKRYUDFFPF-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.77
Rot. Bonds3

About 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid (PubChem CID 106402750) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
PubChem CID106402750
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
SMILESCc1nc(CNC(=O)N2CC3CCCC3C2C(=O)O)no1
InChIInChI=1S/C13H18N4O4/c1-7-15-10(16-21-7)5-14-13(20)17-6-8-3-2-4-9(8)11(17)12(18)19/h8-9,11H,2-6H2,1H3,(H,14,20)(H,18,19)
InChIKeyOHDVCKRYUDFFPF-UHFFFAOYSA-N
XLogP0.77
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid with MolForge

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Related Compounds

3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 114184257
2-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102889896
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-(2,2-difluoroethylcarbamoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102890586
(2S)-2-(3-methylbutyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide
CID 97074229
2-[[3-(methylamino)-3-oxopropyl]carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102890046
2-[(3-ethoxy-3-oxopropyl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102890058
2-(hydroxymethyl)-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-carboxamide
CID 136534776
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114183213
2-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 106020939
2-(3-propoxypropylcarbamoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102890650

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid (CID 106402750) is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The canonical SMILES for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid is Cc1nc(CNC(=O)N2CC3CCCC3C2C(=O)O)no1.
What is the InChIKey of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The InChIKey is OHDVCKRYUDFFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-7-15-10(16-21-7)5-14-13(20)17-6-8-3-2-4-9(8)11(17)12(18)19/h8-9,11H,2-6H2,1H3,(H,14,20)(H,18,19).
What are the key properties of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid is sourced from PubChem (CID 106402750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).