trans-(1S,3S)-3-(6-aminopurin-9-yl)-N-hydroxycyclopentane-1-carboxamide

C11H14N6O2 — CID 10912305

IUPACtrans-(1S,3S)-3-(6-aminopurin-9-yl)-N-hydroxycyclopentane-1-carboxamide
SMILESNc1ncnc2c1ncn2[C@H]1CC[C@H](C(=O)NO)C1
InChIInChI=1S/C11H14N6O2/c12-9-8-10(14-4-13-9)17(5-15-8)7-2-1-6(3-7)11(18)16-19/h4-7,19H,1-3H2,(H,16,18)(H2,12,13,14)/t6-,7-/m0/s1
InChIKeyOHXGDHOUMNKSMG-BQBZGAKWSA-N
MW262.27 g/mol
LogP0.26
Rot. Bonds2

About trans-(1S,3S)-3-(6-aminopurin-9-yl)-N-hydroxycyclopentane-1-carboxamide

trans-(1S,3S)-3-(6-aminopurin-9-yl)-N-hydroxycyclopentane-1-carboxamide (PubChem CID 10912305) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is trans-(1S,3S)-3-(6-aminopurin-9-yl)-N-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,3S)-3-(6-aminopurin-9-yl)-N-hydroxycyclopentane-1-carboxamide
PubChem CID10912305
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Nametrans-(1S,3S)-3-(6-aminopurin-9-yl)-N-hydroxycyclopentane-1-carboxamide
SMILESNc1ncnc2c1ncn2[C@H]1CC[C@H](C(=O)NO)C1
InChIInChI=1S/C11H14N6O2/c12-9-8-10(14-4-13-9)17(5-15-8)7-2-1-6(3-7)11(18)16-19/h4-7,19H,1-3H2,(H,16,18)(H2,12,13,14)/t6-,7-/m0/s1
InChIKeyOHXGDHOUMNKSMG-BQBZGAKWSA-N
XLogP0.26
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.26
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'}

Analyze trans-(1S,3S)-3-(6-aminopurin-9-yl)-N-hydroxycyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
7-[[2-chloro-9-(2-methylpropyl)purin-6-yl]amino]-N-hydroxyheptanamide
CID 127026516
6-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyhexanamide
CID 127027439
6-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-N-hydroxyhexanamide
CID 127027440
6-[(9-butyl-2-chloropurin-6-yl)amino]-N-hydroxyhexanamide
CID 127027443
7-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-N-hydroxyheptanamide
CID 127039213
5-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypentanamide
CID 127025055
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)-4-(6-Amino-purin-9-yl)-cyclopent-2-enecarboxylic acid hydroxyamide
CID 10989023
(1S,3S)-2-[4-(6-Amino-purin-9-yl)-cyclopent-2-enyl]-N-hydroxy-acetamide
CID 11000246

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-(6-aminopurin-9-yl)-N-hydroxycyclopentane-1-carboxamide?
The IUPAC name of trans-(1S,3S)-3-(6-aminopurin-9-yl)-N-hydroxycyclopentane-1-carboxamide (CID 10912305) is trans-(1S,3S)-3-(6-aminopurin-9-yl)-N-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1S,3S)-3-(6-aminopurin-9-yl)-N-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for trans-(1S,3S)-3-(6-aminopurin-9-yl)-N-hydroxycyclopentane-1-carboxamide is Nc1ncnc2c1ncn2[C@H]1CC[C@H](C(=O)NO)C1.
What is the InChIKey of trans-(1S,3S)-3-(6-aminopurin-9-yl)-N-hydroxycyclopentane-1-carboxamide?
The InChIKey is OHXGDHOUMNKSMG-BQBZGAKWSA-N. The full InChI is InChI=1S/C11H14N6O2/c12-9-8-10(14-4-13-9)17(5-15-8)7-2-1-6(3-7)11(18)16-19/h4-7,19H,1-3H2,(H,16,18)(H2,12,13,14)/t6-,7-/m0/s1.
What are the key properties of trans-(1S,3S)-3-(6-aminopurin-9-yl)-N-hydroxycyclopentane-1-carboxamide?
trans-(1S,3S)-3-(6-aminopurin-9-yl)-N-hydroxycyclopentane-1-carboxamide has a molecular weight of 262.27 g/mol, XLogP of 0.26, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-(6-aminopurin-9-yl)-N-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 10912305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).