2-[(1S,3S)-3-(6-aminopurin-9-yl)cyclopentyl]-N-hydroxyacetamide

C12H16N6O2 — CID 11780786

IUPAC2-[(1S,3S)-3-(6-aminopurin-9-yl)cyclopentyl]-N-hydroxyacetamide
SMILESNc1ncnc2c1ncn2[C@H]1CC[C@H](CC(=O)NO)C1
InChIInChI=1S/C12H16N6O2/c13-11-10-12(15-5-14-11)18(6-16-10)8-2-1-7(3-8)4-9(19)17-20/h5-8,20H,1-4H2,(H,17,19)(H2,13,14,15)/t7-,8-/m0/s1
InChIKeyNITZEITXMRNCEG-YUMQZZPRSA-N
MW276.30 g/mol
LogP0.65
Rot. Bonds3

About 2-[(1S,3S)-3-(6-aminopurin-9-yl)cyclopentyl]-N-hydroxyacetamide

2-[(1S,3S)-3-(6-aminopurin-9-yl)cyclopentyl]-N-hydroxyacetamide (PubChem CID 11780786) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-[(1S,3S)-3-(6-aminopurin-9-yl)cyclopentyl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[(1S,3S)-3-(6-aminopurin-9-yl)cyclopentyl]-N-hydroxyacetamide
PubChem CID11780786
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name2-[(1S,3S)-3-(6-aminopurin-9-yl)cyclopentyl]-N-hydroxyacetamide
SMILESNc1ncnc2c1ncn2[C@H]1CC[C@H](CC(=O)NO)C1
InChIInChI=1S/C12H16N6O2/c13-11-10-12(15-5-14-11)18(6-16-10)8-2-1-7(3-8)4-9(19)17-20/h5-8,20H,1-4H2,(H,17,19)(H2,13,14,15)/t7-,8-/m0/s1
InChIKeyNITZEITXMRNCEG-YUMQZZPRSA-N
XLogP0.65
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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,3S)-3-(6-aminopurin-9-yl)cyclopentyl]-N-hydroxyacetamide?
The IUPAC name of 2-[(1S,3S)-3-(6-aminopurin-9-yl)cyclopentyl]-N-hydroxyacetamide (CID 11780786) is 2-[(1S,3S)-3-(6-aminopurin-9-yl)cyclopentyl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[(1S,3S)-3-(6-aminopurin-9-yl)cyclopentyl]-N-hydroxyacetamide?
The canonical SMILES for 2-[(1S,3S)-3-(6-aminopurin-9-yl)cyclopentyl]-N-hydroxyacetamide is Nc1ncnc2c1ncn2[C@H]1CC[C@H](CC(=O)NO)C1.
What is the InChIKey of 2-[(1S,3S)-3-(6-aminopurin-9-yl)cyclopentyl]-N-hydroxyacetamide?
The InChIKey is NITZEITXMRNCEG-YUMQZZPRSA-N. The full InChI is InChI=1S/C12H16N6O2/c13-11-10-12(15-5-14-11)18(6-16-10)8-2-1-7(3-8)4-9(19)17-20/h5-8,20H,1-4H2,(H,17,19)(H2,13,14,15)/t7-,8-/m0/s1.
What are the key properties of 2-[(1S,3S)-3-(6-aminopurin-9-yl)cyclopentyl]-N-hydroxyacetamide?
2-[(1S,3S)-3-(6-aminopurin-9-yl)cyclopentyl]-N-hydroxyacetamide has a molecular weight of 276.30 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3S)-3-(6-aminopurin-9-yl)cyclopentyl]-N-hydroxyacetamide is sourced from PubChem (CID 11780786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).