[(3R)-oxolan-3-yl] N-[(3S,4S)-3-(hydroxycarbamoyl)-4-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexyl]-N-methylcarbamate

C24H33N3O6 — CID 11317107

IUPAC[(3R)-oxolan-3-yl] N-[(3S,4S)-3-(hydroxycarbamoyl)-4-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexyl]-N-methylcarbamate
SMILESCN(C(=O)O[C@@H]1CCOC1)C1CC[C@H](C(=O)N2CC[C@H](c3ccccc3)C2)[C@@H](C(=O)NO)C1
InChIInChI=1S/C24H33N3O6/c1-26(24(30)33-19-10-12-32-15-19)18-7-8-20(21(13-18)22(28)25-31)23(29)27-11-9-17(14-27)16-5-3-2-4-6-16/h2-6,17-21,31H,7-15H2,1H3,(H,25,28)/t17-,18?,19+,20-,21-/m0/s1
InChIKeyZVPGSYMKVATBDX-GPQPSWNGSA-N
MW459.54 g/mol
LogP2.15
Rot. Bonds5

About [(3R)-oxolan-3-yl] N-[(3S,4S)-3-(hydroxycarbamoyl)-4-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexyl]-N-methylcarbamate

[(3R)-oxolan-3-yl] N-[(3S,4S)-3-(hydroxycarbamoyl)-4-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexyl]-N-methylcarbamate (PubChem CID 11317107) has the molecular formula C24H33N3O6 and a molecular weight of 459.54 g/mol. Its IUPAC name is [(3R)-oxolan-3-yl] N-[(3S,4S)-3-(hydroxycarbamoyl)-4-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexyl]-N-methylcarbamate.

Molecular Properties

Compound Name[(3R)-oxolan-3-yl] N-[(3S,4S)-3-(hydroxycarbamoyl)-4-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexyl]-N-methylcarbamate
PubChem CID11317107
Molecular FormulaC24H33N3O6
Molecular Weight459.54 g/mol
Exact Mass459.24
IUPAC Name[(3R)-oxolan-3-yl] N-[(3S,4S)-3-(hydroxycarbamoyl)-4-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexyl]-N-methylcarbamate
SMILESCN(C(=O)O[C@@H]1CCOC1)C1CC[C@H](C(=O)N2CC[C@H](c3ccccc3)C2)[C@@H](C(=O)NO)C1
InChIInChI=1S/C24H33N3O6/c1-26(24(30)33-19-10-12-32-15-19)18-7-8-20(21(13-18)22(28)25-31)23(29)27-11-9-17(14-27)16-5-3-2-4-6-16/h2-6,17-21,31H,7-15H2,1H3,(H,25,28)/t17-,18?,19+,20-,21-/m0/s1
InChIKeyZVPGSYMKVATBDX-GPQPSWNGSA-N
XLogP2.15
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 [(3R)-oxolan-3-yl] N-[(3S,4S)-3-(hydroxycarbamoyl)-4-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexyl]-N-methylcarbamate?
The IUPAC name of [(3R)-oxolan-3-yl] N-[(3S,4S)-3-(hydroxycarbamoyl)-4-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexyl]-N-methylcarbamate (CID 11317107) is [(3R)-oxolan-3-yl] N-[(3S,4S)-3-(hydroxycarbamoyl)-4-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexyl]-N-methylcarbamate.
What is the SMILES notation for [(3R)-oxolan-3-yl] N-[(3S,4S)-3-(hydroxycarbamoyl)-4-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexyl]-N-methylcarbamate?
The canonical SMILES for [(3R)-oxolan-3-yl] N-[(3S,4S)-3-(hydroxycarbamoyl)-4-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexyl]-N-methylcarbamate is CN(C(=O)O[C@@H]1CCOC1)C1CC[C@H](C(=O)N2CC[C@H](c3ccccc3)C2)[C@@H](C(=O)NO)C1.
What is the InChIKey of [(3R)-oxolan-3-yl] N-[(3S,4S)-3-(hydroxycarbamoyl)-4-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexyl]-N-methylcarbamate?
The InChIKey is ZVPGSYMKVATBDX-GPQPSWNGSA-N. The full InChI is InChI=1S/C24H33N3O6/c1-26(24(30)33-19-10-12-32-15-19)18-7-8-20(21(13-18)22(28)25-31)23(29)27-11-9-17(14-27)16-5-3-2-4-6-16/h2-6,17-21,31H,7-15H2,1H3,(H,25,28)/t17-,18?,19+,20-,21-/m0/s1.
What are the key properties of [(3R)-oxolan-3-yl] N-[(3S,4S)-3-(hydroxycarbamoyl)-4-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexyl]-N-methylcarbamate?
[(3R)-oxolan-3-yl] N-[(3S,4S)-3-(hydroxycarbamoyl)-4-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexyl]-N-methylcarbamate has a molecular weight of 459.54 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-oxolan-3-yl] N-[(3S,4S)-3-(hydroxycarbamoyl)-4-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexyl]-N-methylcarbamate is sourced from PubChem (CID 11317107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).