2-[(1S,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]-N-hydroxyacetamide

C12H14N6O2 — CID 11000246

IUPAC2-[(1S,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]-N-hydroxyacetamide
SMILESNc1ncnc2c1ncn2[C@@H]1C=C[C@H](CC(=O)NO)C1
InChIInChI=1S/C12H14N6O2/c13-11-10-12(15-5-14-11)18(6-16-10)8-2-1-7(3-8)4-9(19)17-20/h1-2,5-8,20H,3-4H2,(H,17,19)(H2,13,14,15)/t7-,8+/m0/s1
InChIKeyFBYMTNKHOYHJPZ-JGVFFNPUSA-N
MW274.28 g/mol
LogP0.42
Rot. Bonds3

About 2-[(1S,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]-N-hydroxyacetamide

2-[(1S,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]-N-hydroxyacetamide (PubChem CID 11000246) has the molecular formula C12H14N6O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[(1S,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[(1S,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]-N-hydroxyacetamide
PubChem CID11000246
Molecular FormulaC12H14N6O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name2-[(1S,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]-N-hydroxyacetamide
SMILESNc1ncnc2c1ncn2[C@@H]1C=C[C@H](CC(=O)NO)C1
InChIInChI=1S/C12H14N6O2/c13-11-10-12(15-5-14-11)18(6-16-10)8-2-1-7(3-8)4-9(19)17-20/h1-2,5-8,20H,3-4H2,(H,17,19)(H2,13,14,15)/t7-,8+/m0/s1
InChIKeyFBYMTNKHOYHJPZ-JGVFFNPUSA-N
XLogP0.42
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]-N-hydroxyacetamide?
The IUPAC name of 2-[(1S,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]-N-hydroxyacetamide (CID 11000246) is 2-[(1S,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[(1S,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]-N-hydroxyacetamide?
The canonical SMILES for 2-[(1S,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]-N-hydroxyacetamide is Nc1ncnc2c1ncn2[C@@H]1C=C[C@H](CC(=O)NO)C1.
What is the InChIKey of 2-[(1S,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]-N-hydroxyacetamide?
The InChIKey is FBYMTNKHOYHJPZ-JGVFFNPUSA-N. The full InChI is InChI=1S/C12H14N6O2/c13-11-10-12(15-5-14-11)18(6-16-10)8-2-1-7(3-8)4-9(19)17-20/h1-2,5-8,20H,3-4H2,(H,17,19)(H2,13,14,15)/t7-,8+/m0/s1.
What are the key properties of 2-[(1S,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]-N-hydroxyacetamide?
2-[(1S,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]-N-hydroxyacetamide has a molecular weight of 274.28 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]-N-hydroxyacetamide is sourced from PubChem (CID 11000246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).