(1R,4R)-4-(6-aminopurin-9-yl)-N-hydroxycyclopent-2-ene-1-carboxamide

C11H12N6O2 — CID 10989023

IUPAC(1R,4R)-4-(6-aminopurin-9-yl)-N-hydroxycyclopent-2-ene-1-carboxamide
SMILESNc1ncnc2c1ncn2[C@H]1C=C[C@H](C(=O)NO)C1
InChIInChI=1S/C11H12N6O2/c12-9-8-10(14-4-13-9)17(5-15-8)7-2-1-6(3-7)11(18)16-19/h1-2,4-7,19H,3H2,(H,16,18)(H2,12,13,14)/t6-,7-/m0/s1
InChIKeyCJIKFXCNDDQKNZ-BQBZGAKWSA-N
MW260.26 g/mol
LogP0.03
Rot. Bonds2

About (1R,4R)-4-(6-aminopurin-9-yl)-N-hydroxycyclopent-2-ene-1-carboxamide

(1R,4R)-4-(6-aminopurin-9-yl)-N-hydroxycyclopent-2-ene-1-carboxamide (PubChem CID 10989023) has the molecular formula C11H12N6O2 and a molecular weight of 260.26 g/mol. Its IUPAC name is (1R,4R)-4-(6-aminopurin-9-yl)-N-hydroxycyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name(1R,4R)-4-(6-aminopurin-9-yl)-N-hydroxycyclopent-2-ene-1-carboxamide
PubChem CID10989023
Molecular FormulaC11H12N6O2
Molecular Weight260.26 g/mol
Exact Mass260.10
IUPAC Name(1R,4R)-4-(6-aminopurin-9-yl)-N-hydroxycyclopent-2-ene-1-carboxamide
SMILESNc1ncnc2c1ncn2[C@H]1C=C[C@H](C(=O)NO)C1
InChIInChI=1S/C11H12N6O2/c12-9-8-10(14-4-13-9)17(5-15-8)7-2-1-6(3-7)11(18)16-19/h1-2,4-7,19H,3H2,(H,16,18)(H2,12,13,14)/t6-,7-/m0/s1
InChIKeyCJIKFXCNDDQKNZ-BQBZGAKWSA-N
XLogP0.03
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 50.03
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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Related Compounds

(1S,4R)-4-(2-amino-6-(cyclopropylamino)-9H-purin-9-yl)cyclopent-2-ene-1-carboxylic acid
CID 56927907
(1R,3R)-3-(6-Amino-purin-9-yl)-cyclopentanecarboxylic acid hydroxyamide
CID 10912305
(1R,3R)-2-[3-(6-Amino-purin-9-yl)-cyclopentyl]-N-hydroxy-acetamide
CID 10934704
(1S,3R)-2-[4-(6-Amino-purin-9-yl)-cyclopent-2-enyl]-N-hydroxy-acetamide
CID 10989442
4-(6-Amino-purin-9-yl)-N-hydroxy-butyramide
CID 10014327
(1R,3S)-3-(6-Amino-purin-9-yl)-cyclopentanecarboxylic acid hydroxyamide
CID 10869068
(1S,3S)-2-[4-(6-Amino-purin-9-yl)-cyclopent-2-enyl]-N-hydroxy-acetamide
CID 11000246
(1R,3S)-2-[4-(6-Amino-purin-9-yl)-cyclopent-2-enyl]-N-hydroxy-acetamide
CID 11086961
(1S,3R)-[4-(6-Amino-purin-9-yl)-cyclopent-2-enyl]-acetic acid
CID 11139808
5-(6-Amino-purin-9-yl)-pentanoic acid hydroxyamide
CID 11776872
(1S,3S)-2-[3-(6-Amino-purin-9-yl)-cyclopentyl]-N-hydroxy-acetamide
CID 11780786
(1R,3R)-3-(6-amino-9H-purin-9-yl)-N-hydroxycyclopentanecarboxamide
CID 9834991

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-4-(6-aminopurin-9-yl)-N-hydroxycyclopent-2-ene-1-carboxamide?
The IUPAC name of (1R,4R)-4-(6-aminopurin-9-yl)-N-hydroxycyclopent-2-ene-1-carboxamide (CID 10989023) is (1R,4R)-4-(6-aminopurin-9-yl)-N-hydroxycyclopent-2-ene-1-carboxamide.
What is the SMILES notation for (1R,4R)-4-(6-aminopurin-9-yl)-N-hydroxycyclopent-2-ene-1-carboxamide?
The canonical SMILES for (1R,4R)-4-(6-aminopurin-9-yl)-N-hydroxycyclopent-2-ene-1-carboxamide is Nc1ncnc2c1ncn2[C@H]1C=C[C@H](C(=O)NO)C1.
What is the InChIKey of (1R,4R)-4-(6-aminopurin-9-yl)-N-hydroxycyclopent-2-ene-1-carboxamide?
The InChIKey is CJIKFXCNDDQKNZ-BQBZGAKWSA-N. The full InChI is InChI=1S/C11H12N6O2/c12-9-8-10(14-4-13-9)17(5-15-8)7-2-1-6(3-7)11(18)16-19/h1-2,4-7,19H,3H2,(H,16,18)(H2,12,13,14)/t6-,7-/m0/s1.
What are the key properties of (1R,4R)-4-(6-aminopurin-9-yl)-N-hydroxycyclopent-2-ene-1-carboxamide?
(1R,4R)-4-(6-aminopurin-9-yl)-N-hydroxycyclopent-2-ene-1-carboxamide has a molecular weight of 260.26 g/mol, XLogP of 0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-4-(6-aminopurin-9-yl)-N-hydroxycyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 10989023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).