N-[(1R,2R,4S)-2-hydroxy-4-(6-oxo-2,5,7-triazaspiro[3.4]octane-2-carbonyl)cyclopentyl]-2-phenoxyacetamide

C19H24N4O5 — CID 155919542

IUPACN-[(1R,2R,4S)-2-hydroxy-4-(6-oxo-2,5,7-triazaspiro[3.4]octane-2-carbonyl)cyclopentyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)N[C@@H]1C[C@H](C(=O)N2CC3(CNC(=O)N3)C2)C[C@H]1O
InChIInChI=1S/C19H24N4O5/c24-15-7-12(17(26)23-10-19(11-23)9-20-18(27)22-19)6-14(15)21-16(25)8-28-13-4-2-1-3-5-13/h1-5,12,14-15,24H,6-11H2,(H,21,25)(H2,20,22,27)/t12-,14+,15+/m0/s1
InChIKeyHLJQGGPVFKITFR-NWANDNLSSA-N
MW388.42 g/mol
LogP-0.79
Rot. Bonds5

About N-[(1R,2R,4S)-2-hydroxy-4-(6-oxo-2,5,7-triazaspiro[3.4]octane-2-carbonyl)cyclopentyl]-2-phenoxyacetamide

N-[(1R,2R,4S)-2-hydroxy-4-(6-oxo-2,5,7-triazaspiro[3.4]octane-2-carbonyl)cyclopentyl]-2-phenoxyacetamide (PubChem CID 155919542) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[(1R,2R,4S)-2-hydroxy-4-(6-oxo-2,5,7-triazaspiro[3.4]octane-2-carbonyl)cyclopentyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(1R,2R,4S)-2-hydroxy-4-(6-oxo-2,5,7-triazaspiro[3.4]octane-2-carbonyl)cyclopentyl]-2-phenoxyacetamide
PubChem CID155919542
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC NameN-[(1R,2R,4S)-2-hydroxy-4-(6-oxo-2,5,7-triazaspiro[3.4]octane-2-carbonyl)cyclopentyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)N[C@@H]1C[C@H](C(=O)N2CC3(CNC(=O)N3)C2)C[C@H]1O
InChIInChI=1S/C19H24N4O5/c24-15-7-12(17(26)23-10-19(11-23)9-20-18(27)22-19)6-14(15)21-16(25)8-28-13-4-2-1-3-5-13/h1-5,12,14-15,24H,6-11H2,(H,21,25)(H2,20,22,27)/t12-,14+,15+/m0/s1
InChIKeyHLJQGGPVFKITFR-NWANDNLSSA-N
XLogP-0.79
TPSA120.00 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 5-0.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4S)-2-hydroxy-4-(6-oxo-2,5,7-triazaspiro[3.4]octane-2-carbonyl)cyclopentyl]-2-phenoxyacetamide?
The IUPAC name of N-[(1R,2R,4S)-2-hydroxy-4-(6-oxo-2,5,7-triazaspiro[3.4]octane-2-carbonyl)cyclopentyl]-2-phenoxyacetamide (CID 155919542) is N-[(1R,2R,4S)-2-hydroxy-4-(6-oxo-2,5,7-triazaspiro[3.4]octane-2-carbonyl)cyclopentyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(1R,2R,4S)-2-hydroxy-4-(6-oxo-2,5,7-triazaspiro[3.4]octane-2-carbonyl)cyclopentyl]-2-phenoxyacetamide?
The canonical SMILES for N-[(1R,2R,4S)-2-hydroxy-4-(6-oxo-2,5,7-triazaspiro[3.4]octane-2-carbonyl)cyclopentyl]-2-phenoxyacetamide is O=C(COc1ccccc1)N[C@@H]1C[C@H](C(=O)N2CC3(CNC(=O)N3)C2)C[C@H]1O.
What is the InChIKey of N-[(1R,2R,4S)-2-hydroxy-4-(6-oxo-2,5,7-triazaspiro[3.4]octane-2-carbonyl)cyclopentyl]-2-phenoxyacetamide?
The InChIKey is HLJQGGPVFKITFR-NWANDNLSSA-N. The full InChI is InChI=1S/C19H24N4O5/c24-15-7-12(17(26)23-10-19(11-23)9-20-18(27)22-19)6-14(15)21-16(25)8-28-13-4-2-1-3-5-13/h1-5,12,14-15,24H,6-11H2,(H,21,25)(H2,20,22,27)/t12-,14+,15+/m0/s1.
What are the key properties of N-[(1R,2R,4S)-2-hydroxy-4-(6-oxo-2,5,7-triazaspiro[3.4]octane-2-carbonyl)cyclopentyl]-2-phenoxyacetamide?
N-[(1R,2R,4S)-2-hydroxy-4-(6-oxo-2,5,7-triazaspiro[3.4]octane-2-carbonyl)cyclopentyl]-2-phenoxyacetamide has a molecular weight of 388.42 g/mol, XLogP of -0.79, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4S)-2-hydroxy-4-(6-oxo-2,5,7-triazaspiro[3.4]octane-2-carbonyl)cyclopentyl]-2-phenoxyacetamide is sourced from PubChem (CID 155919542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).