(6S,7S)-6-(3-cyclohexylpyrrolidine-1-carbonyl)-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide

C19H31N3O3 — CID 87234804

IUPAC(6S,7S)-6-(3-cyclohexylpyrrolidine-1-carbonyl)-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide
SMILESO=C(NO)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCC(C2CCCCC2)C1
InChIInChI=1S/C19H31N3O3/c23-17(21-25)15-10-19(7-8-19)12-20-16(15)18(24)22-9-6-14(11-22)13-4-2-1-3-5-13/h13-16,20,25H,1-12H2,(H,21,23)/t14?,15-,16-/m0/s1
InChIKeyWUNVCXOPJFZXPM-YVZMLIKISA-N
MW349.48 g/mol
LogP1.68
Rot. Bonds3

About (6S,7S)-6-(3-cyclohexylpyrrolidine-1-carbonyl)-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide

(6S,7S)-6-(3-cyclohexylpyrrolidine-1-carbonyl)-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide (PubChem CID 87234804) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is (6S,7S)-6-(3-cyclohexylpyrrolidine-1-carbonyl)-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide.

Molecular Properties

Compound Name(6S,7S)-6-(3-cyclohexylpyrrolidine-1-carbonyl)-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide
PubChem CID87234804
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name(6S,7S)-6-(3-cyclohexylpyrrolidine-1-carbonyl)-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide
SMILESO=C(NO)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCC(C2CCCCC2)C1
InChIInChI=1S/C19H31N3O3/c23-17(21-25)15-10-19(7-8-19)12-20-16(15)18(24)22-9-6-14(11-22)13-4-2-1-3-5-13/h13-16,20,25H,1-12H2,(H,21,23)/t14?,15-,16-/m0/s1
InChIKeyWUNVCXOPJFZXPM-YVZMLIKISA-N
XLogP1.68
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 (6S,7S)-6-(3-cyclohexylpyrrolidine-1-carbonyl)-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide?
The IUPAC name of (6S,7S)-6-(3-cyclohexylpyrrolidine-1-carbonyl)-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide (CID 87234804) is (6S,7S)-6-(3-cyclohexylpyrrolidine-1-carbonyl)-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide.
What is the SMILES notation for (6S,7S)-6-(3-cyclohexylpyrrolidine-1-carbonyl)-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide?
The canonical SMILES for (6S,7S)-6-(3-cyclohexylpyrrolidine-1-carbonyl)-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide is O=C(NO)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCC(C2CCCCC2)C1.
What is the InChIKey of (6S,7S)-6-(3-cyclohexylpyrrolidine-1-carbonyl)-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide?
The InChIKey is WUNVCXOPJFZXPM-YVZMLIKISA-N. The full InChI is InChI=1S/C19H31N3O3/c23-17(21-25)15-10-19(7-8-19)12-20-16(15)18(24)22-9-6-14(11-22)13-4-2-1-3-5-13/h13-16,20,25H,1-12H2,(H,21,23)/t14?,15-,16-/m0/s1.
What are the key properties of (6S,7S)-6-(3-cyclohexylpyrrolidine-1-carbonyl)-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide?
(6S,7S)-6-(3-cyclohexylpyrrolidine-1-carbonyl)-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 1.68, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S)-6-(3-cyclohexylpyrrolidine-1-carbonyl)-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 87234804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).