(3aS,6aR)-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid

C18H26N4O4 — CID 122005749

IUPAC(3aS,6aR)-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
SMILESCc1noc(C2CCC(NC(=O)N3C[C@@H]4CCC[C@@]4(C(=O)O)C3)CC2)n1
InChIInChI=1S/C18H26N4O4/c1-11-19-15(26-21-11)12-4-6-14(7-5-12)20-17(25)22-9-13-3-2-8-18(13,10-22)16(23)24/h12-14H,2-10H2,1H3,(H,20,25)(H,23,24)/t12?,13-,14?,18+/m0/s1
InChIKeyJEAYMKVEXNTGJT-OGMSWHEOSA-N
MW362.43 g/mol
LogP2.30
Rot. Bonds3

About (3aS,6aR)-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid

(3aS,6aR)-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid (PubChem CID 122005749) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is (3aS,6aR)-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid.

Molecular Properties

Compound Name(3aS,6aR)-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
PubChem CID122005749
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name(3aS,6aR)-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
SMILESCc1noc(C2CCC(NC(=O)N3C[C@@H]4CCC[C@@]4(C(=O)O)C3)CC2)n1
InChIInChI=1S/C18H26N4O4/c1-11-19-15(26-21-11)12-4-6-14(7-5-12)20-17(25)22-9-13-3-2-8-18(13,10-22)16(23)24/h12-14H,2-10H2,1H3,(H,20,25)(H,23,24)/t12?,13-,14?,18+/m0/s1
InChIKeyJEAYMKVEXNTGJT-OGMSWHEOSA-N
XLogP2.30
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3aS,6aR)-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid with MolForge

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Related Compounds

(3aS,6aR)-2-[(3-tert-butylcyclobutyl)carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122015426
1-hydroxy-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclopropane-1-carboxamide
CID 155957404
(3aS,6aR)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122076872
(3aS,6aR)-2-(5-oxaspiro[3.5]nonan-8-ylcarbamoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122007075
(3aS,6aR)-2-[(2-propan-2-yloxan-4-yl)carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122008815
(3aS,6aR)-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122088047
(3aS,6aR)-2-[[(1R,2S)-2-cyclopropylcyclopropyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122012787
(3aS,6aR)-2-[(1,1-dioxothian-3-yl)carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122008854
(3aS,6aR)-2-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122002808
(3aS,6aR)-2-(ethylcarbamoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122052749
(3aS,6aR)-2-[(4,4-dimethyloxolan-3-yl)carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122016720
(3aS,7aR)-N-cyclopropyl-5-methyl-7a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 155954540

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid?
The IUPAC name of (3aS,6aR)-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid (CID 122005749) is (3aS,6aR)-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid.
What is the SMILES notation for (3aS,6aR)-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid?
The canonical SMILES for (3aS,6aR)-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid is Cc1noc(C2CCC(NC(=O)N3C[C@@H]4CCC[C@@]4(C(=O)O)C3)CC2)n1.
What is the InChIKey of (3aS,6aR)-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid?
The InChIKey is JEAYMKVEXNTGJT-OGMSWHEOSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-11-19-15(26-21-11)12-4-6-14(7-5-12)20-17(25)22-9-13-3-2-8-18(13,10-22)16(23)24/h12-14H,2-10H2,1H3,(H,20,25)(H,23,24)/t12?,13-,14?,18+/m0/s1.
What are the key properties of (3aS,6aR)-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid?
(3aS,6aR)-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid has a molecular weight of 362.43 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid is sourced from PubChem (CID 122005749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).