N-[(2R)-2-[(6S)-6-formyl-5-azaspiro[2.4]heptane-5-carbonyl]hexyl]-N-hydroxyformamide

C15H24N2O4 — CID 138641157

IUPACN-[(2R)-2-[(6S)-6-formyl-5-azaspiro[2.4]heptane-5-carbonyl]hexyl]-N-hydroxyformamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)N1CC2(CC2)C[C@H]1C=O
InChIInChI=1S/C15H24N2O4/c1-2-3-4-12(8-16(21)11-19)14(20)17-10-15(5-6-15)7-13(17)9-18/h9,11-13,21H,2-8,10H2,1H3/t12-,13+/m1/s1
InChIKeyLMOQZGXUMHCLMV-OLZOCXBDSA-N
MW296.37 g/mol
LogP1.22
Rot. Bonds8

About N-[(2R)-2-[(6S)-6-formyl-5-azaspiro[2.4]heptane-5-carbonyl]hexyl]-N-hydroxyformamide

N-[(2R)-2-[(6S)-6-formyl-5-azaspiro[2.4]heptane-5-carbonyl]hexyl]-N-hydroxyformamide (PubChem CID 138641157) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[(2R)-2-[(6S)-6-formyl-5-azaspiro[2.4]heptane-5-carbonyl]hexyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-2-[(6S)-6-formyl-5-azaspiro[2.4]heptane-5-carbonyl]hexyl]-N-hydroxyformamide
PubChem CID138641157
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC NameN-[(2R)-2-[(6S)-6-formyl-5-azaspiro[2.4]heptane-5-carbonyl]hexyl]-N-hydroxyformamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)N1CC2(CC2)C[C@H]1C=O
InChIInChI=1S/C15H24N2O4/c1-2-3-4-12(8-16(21)11-19)14(20)17-10-15(5-6-15)7-13(17)9-18/h9,11-13,21H,2-8,10H2,1H3/t12-,13+/m1/s1
InChIKeyLMOQZGXUMHCLMV-OLZOCXBDSA-N
XLogP1.22
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 N-[(2R)-2-[(6S)-6-formyl-5-azaspiro[2.4]heptane-5-carbonyl]hexyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-2-[(6S)-6-formyl-5-azaspiro[2.4]heptane-5-carbonyl]hexyl]-N-hydroxyformamide (CID 138641157) is N-[(2R)-2-[(6S)-6-formyl-5-azaspiro[2.4]heptane-5-carbonyl]hexyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-2-[(6S)-6-formyl-5-azaspiro[2.4]heptane-5-carbonyl]hexyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-2-[(6S)-6-formyl-5-azaspiro[2.4]heptane-5-carbonyl]hexyl]-N-hydroxyformamide is CCCC[C@H](CN(O)C=O)C(=O)N1CC2(CC2)C[C@H]1C=O.
What is the InChIKey of N-[(2R)-2-[(6S)-6-formyl-5-azaspiro[2.4]heptane-5-carbonyl]hexyl]-N-hydroxyformamide?
The InChIKey is LMOQZGXUMHCLMV-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-2-3-4-12(8-16(21)11-19)14(20)17-10-15(5-6-15)7-13(17)9-18/h9,11-13,21H,2-8,10H2,1H3/t12-,13+/m1/s1.
What are the key properties of N-[(2R)-2-[(6S)-6-formyl-5-azaspiro[2.4]heptane-5-carbonyl]hexyl]-N-hydroxyformamide?
N-[(2R)-2-[(6S)-6-formyl-5-azaspiro[2.4]heptane-5-carbonyl]hexyl]-N-hydroxyformamide has a molecular weight of 296.37 g/mol, XLogP of 1.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[(6S)-6-formyl-5-azaspiro[2.4]heptane-5-carbonyl]hexyl]-N-hydroxyformamide is sourced from PubChem (CID 138641157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).