(6S)-N-hydroxy-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]spiro[2.5]octane-7-carboxamide

C20H26N2O3 — CID 87234865

IUPAC(6S)-N-hydroxy-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]spiro[2.5]octane-7-carboxamide
SMILESO=C(NO)C1CC2(CC[C@@H]1C(=O)N1CC[C@H](c3ccccc3)C1)CC2
InChIInChI=1S/C20H26N2O3/c23-18(21-25)17-12-20(9-10-20)8-6-16(17)19(24)22-11-7-15(13-22)14-4-2-1-3-5-14/h1-5,15-17,25H,6-13H2,(H,21,23)/t15-,16-,17?/m0/s1
InChIKeyKGFYMTHGZVZNMX-PYNWJHIZSA-N
MW342.44 g/mol
LogP2.70
Rot. Bonds3

About (6S)-N-hydroxy-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]spiro[2.5]octane-7-carboxamide

(6S)-N-hydroxy-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]spiro[2.5]octane-7-carboxamide (PubChem CID 87234865) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is (6S)-N-hydroxy-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]spiro[2.5]octane-7-carboxamide.

Molecular Properties

Compound Name(6S)-N-hydroxy-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]spiro[2.5]octane-7-carboxamide
PubChem CID87234865
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name(6S)-N-hydroxy-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]spiro[2.5]octane-7-carboxamide
SMILESO=C(NO)C1CC2(CC[C@@H]1C(=O)N1CC[C@H](c3ccccc3)C1)CC2
InChIInChI=1S/C20H26N2O3/c23-18(21-25)17-12-20(9-10-20)8-6-16(17)19(24)22-11-7-15(13-22)14-4-2-1-3-5-14/h1-5,15-17,25H,6-13H2,(H,21,23)/t15-,16-,17?/m0/s1
InChIKeyKGFYMTHGZVZNMX-PYNWJHIZSA-N
XLogP2.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (6S)-N-hydroxy-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]spiro[2.5]octane-7-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-N-hydroxy-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]spiro[2.5]octane-7-carboxamide?
The IUPAC name of (6S)-N-hydroxy-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]spiro[2.5]octane-7-carboxamide (CID 87234865) is (6S)-N-hydroxy-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]spiro[2.5]octane-7-carboxamide.
What is the SMILES notation for (6S)-N-hydroxy-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]spiro[2.5]octane-7-carboxamide?
The canonical SMILES for (6S)-N-hydroxy-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]spiro[2.5]octane-7-carboxamide is O=C(NO)C1CC2(CC[C@@H]1C(=O)N1CC[C@H](c3ccccc3)C1)CC2.
What is the InChIKey of (6S)-N-hydroxy-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]spiro[2.5]octane-7-carboxamide?
The InChIKey is KGFYMTHGZVZNMX-PYNWJHIZSA-N. The full InChI is InChI=1S/C20H26N2O3/c23-18(21-25)17-12-20(9-10-20)8-6-16(17)19(24)22-11-7-15(13-22)14-4-2-1-3-5-14/h1-5,15-17,25H,6-13H2,(H,21,23)/t15-,16-,17?/m0/s1.
What are the key properties of (6S)-N-hydroxy-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]spiro[2.5]octane-7-carboxamide?
(6S)-N-hydroxy-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]spiro[2.5]octane-7-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-hydroxy-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]spiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 87234865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).