2-[(3aS,6aR)-1-hydroxy-3a,6a-dimethyl-3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-2-yl]acetamide

C11H18N2O3 — CID 165060445

IUPAC2-[(3aS,6aR)-1-hydroxy-3a,6a-dimethyl-3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-2-yl]acetamide
SMILESC[C@@]12CCC[C@]1(C)C(=O)N(CC(N)=O)C2O
InChIInChI=1S/C11H18N2O3/c1-10-4-3-5-11(10,2)9(16)13(8(10)15)6-7(12)14/h8,15H,3-6H2,1-2H3,(H2,12,14)/t8?,10-,11+/m0/s1
InChIKeyCHMYEKXMWHOTKW-JCBFREDQSA-N
MW226.28 g/mol
LogP-0.17
Rot. Bonds2

About 2-[(3aS,6aR)-1-hydroxy-3a,6a-dimethyl-3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-2-yl]acetamide

2-[(3aS,6aR)-1-hydroxy-3a,6a-dimethyl-3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-2-yl]acetamide (PubChem CID 165060445) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[(3aS,6aR)-1-hydroxy-3a,6a-dimethyl-3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-2-yl]acetamide.

Molecular Properties

Compound Name2-[(3aS,6aR)-1-hydroxy-3a,6a-dimethyl-3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-2-yl]acetamide
PubChem CID165060445
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-[(3aS,6aR)-1-hydroxy-3a,6a-dimethyl-3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-2-yl]acetamide
SMILESC[C@@]12CCC[C@]1(C)C(=O)N(CC(N)=O)C2O
InChIInChI=1S/C11H18N2O3/c1-10-4-3-5-11(10,2)9(16)13(8(10)15)6-7(12)14/h8,15H,3-6H2,1-2H3,(H2,12,14)/t8?,10-,11+/m0/s1
InChIKeyCHMYEKXMWHOTKW-JCBFREDQSA-N
XLogP-0.17
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-oxo-1-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)acetamide
CID 171080839
2-(7-hydroxy-3-oxo-2-azaspiro[3.5]nonan-2-yl)acetamide
CID 134244276
1-(2-amino-2-oxoethyl)-5-oxopyrrolidine-2-carboxamide
CID 3657675
2-[(3aS,6aR)-3a,6a-dimethyl-4-oxo-1,2,3,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]acetamide
CID 155683212
2-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)acetamide
CID 14182974
2-[(3aR,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]acetamide
CID 14182975
2-(5-hydroxy-5-methyl-2-oxo-7,8-dihydro-6H-quinolin-1-yl)acetamide
CID 19760334
2-(2-oxo-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[b]pyrrol-1-yl)acetamide
CID 14182987
2-[(2S)-2-ethyl-2-hydroxypyrrolidin-1-yl]acetamide
CID 174477638
2-(5,5-dimethyl-2,4-dioxo-1,3-thiazolidin-3-yl)acetamide
CID 130727550
2-(4-oxo-2-sulfanyl-1,3-thiazolidin-3-yl)acetamide
CID 141266040
2-(3-oxo-2-azaspiro[4.4]nonan-2-yl)acetamide
CID 23336694

Frequently Asked Questions

What is the IUPAC name of 2-[(3aS,6aR)-1-hydroxy-3a,6a-dimethyl-3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-2-yl]acetamide?
The IUPAC name of 2-[(3aS,6aR)-1-hydroxy-3a,6a-dimethyl-3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-2-yl]acetamide (CID 165060445) is 2-[(3aS,6aR)-1-hydroxy-3a,6a-dimethyl-3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-2-yl]acetamide.
What is the SMILES notation for 2-[(3aS,6aR)-1-hydroxy-3a,6a-dimethyl-3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-2-yl]acetamide?
The canonical SMILES for 2-[(3aS,6aR)-1-hydroxy-3a,6a-dimethyl-3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-2-yl]acetamide is C[C@@]12CCC[C@]1(C)C(=O)N(CC(N)=O)C2O.
What is the InChIKey of 2-[(3aS,6aR)-1-hydroxy-3a,6a-dimethyl-3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-2-yl]acetamide?
The InChIKey is CHMYEKXMWHOTKW-JCBFREDQSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-10-4-3-5-11(10,2)9(16)13(8(10)15)6-7(12)14/h8,15H,3-6H2,1-2H3,(H2,12,14)/t8?,10-,11+/m0/s1.
What are the key properties of 2-[(3aS,6aR)-1-hydroxy-3a,6a-dimethyl-3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-2-yl]acetamide?
2-[(3aS,6aR)-1-hydroxy-3a,6a-dimethyl-3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-2-yl]acetamide has a molecular weight of 226.28 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aS,6aR)-1-hydroxy-3a,6a-dimethyl-3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-2-yl]acetamide is sourced from PubChem (CID 165060445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).