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

C11H14N6O2 — CID 10869068

IUPACcis-(1R,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+/m1/s1
InChIKeyOHXGDHOUMNKSMG-RQJHMYQMSA-N
MW262.27 g/mol
LogP0.26
Rot. Bonds2

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

cis-(1R,3S)-3-(6-aminopurin-9-yl)-N-hydroxycyclopentane-1-carboxamide (PubChem CID 10869068) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is cis-(1R,3S)-3-(6-aminopurin-9-yl)-N-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-3-(6-aminopurin-9-yl)-N-hydroxycyclopentane-1-carboxamide
PubChem CID10869068
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Namecis-(1R,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+/m1/s1
InChIKeyOHXGDHOUMNKSMG-RQJHMYQMSA-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'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(6-aminopurin-9-yl)-N-hydroxycyclopentane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-3-(6-aminopurin-9-yl)-N-hydroxycyclopentane-1-carboxamide (CID 10869068) is cis-(1R,3S)-3-(6-aminopurin-9-yl)-N-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-3-(6-aminopurin-9-yl)-N-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for cis-(1R,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 cis-(1R,3S)-3-(6-aminopurin-9-yl)-N-hydroxycyclopentane-1-carboxamide?
The InChIKey is OHXGDHOUMNKSMG-RQJHMYQMSA-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+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(6-aminopurin-9-yl)-N-hydroxycyclopentane-1-carboxamide?
cis-(1R,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 cis-(1R,3S)-3-(6-aminopurin-9-yl)-N-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 10869068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).