oxolan-3-yl N-[3-[(3aS)-5-(cyclobutanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]carbamate

C25H35N3O4 — CID 69147589

IUPACoxolan-3-yl N-[3-[(3aS)-5-(cyclobutanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]carbamate
SMILESO=C(NC(CCN1CC2CN(C(=O)C3CCC3)C[C@@H]2C1)c1ccccc1)OC1CCOC1
InChIInChI=1S/C25H35N3O4/c29-24(19-7-4-8-19)28-15-20-13-27(14-21(20)16-28)11-9-23(18-5-2-1-3-6-18)26-25(30)32-22-10-12-31-17-22/h1-3,5-6,19-23H,4,7-17H2,(H,26,30)/t20-,21?,22?,23?/m0/s1
InChIKeyQIRLPNPTAXNRFD-LEISRSHCSA-N
MW441.57 g/mol
LogP2.82
Rot. Bonds7

About oxolan-3-yl N-[3-[(3aS)-5-(cyclobutanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]carbamate

oxolan-3-yl N-[3-[(3aS)-5-(cyclobutanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]carbamate (PubChem CID 69147589) has the molecular formula C25H35N3O4 and a molecular weight of 441.57 g/mol. Its IUPAC name is oxolan-3-yl N-[3-[(3aS)-5-(cyclobutanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]carbamate.

Molecular Properties

Compound Nameoxolan-3-yl N-[3-[(3aS)-5-(cyclobutanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]carbamate
PubChem CID69147589
Molecular FormulaC25H35N3O4
Molecular Weight441.57 g/mol
Exact Mass441.26
IUPAC Nameoxolan-3-yl N-[3-[(3aS)-5-(cyclobutanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]carbamate
SMILESO=C(NC(CCN1CC2CN(C(=O)C3CCC3)C[C@@H]2C1)c1ccccc1)OC1CCOC1
InChIInChI=1S/C25H35N3O4/c29-24(19-7-4-8-19)28-15-20-13-27(14-21(20)16-28)11-9-23(18-5-2-1-3-6-18)26-25(30)32-22-10-12-31-17-22/h1-3,5-6,19-23H,4,7-17H2,(H,26,30)/t20-,21?,22?,23?/m0/s1
InChIKeyQIRLPNPTAXNRFD-LEISRSHCSA-N
XLogP2.82
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.57
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze oxolan-3-yl N-[3-[(3aS)-5-(cyclobutanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]carbamate with MolForge

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Related Compounds

oxolan-3-yl N-[3-[(3aS)-5-(2-cyclohexylacetyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]carbamate
CID 69147381
oxolan-3-yl N-[3-[(3aS)-5-(2,6-difluorobenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]carbamate
CID 69147449
oxolan-3-yl N-[3-[(3aS)-5-(quinoline-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]carbamate
CID 69150153
oxolan-3-yl N-[3-[(3aS)-5-(3-chlorothiophene-2-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]carbamate
CID 69149128
2-[(3S)-3-(oxolane-3-carbonylamino)-3-phenylpropyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid
CID 69145912
2-[(3S)-3-(oxolane-3-carbonylamino)-3-phenylpropyl]-N-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 69149212
N-[3-[(3aS)-5-(cyclopropanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid
CID 11685075
N-[3-[(3aS)-5-(4-cyanobenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]oxolane-3-carboxamide
CID 91161605
N-[3-[(3aS)-5-[2-(dimethylamino)benzoyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]oxolane-3-carboxamide
CID 90742547
N-[3-[(3aS)-5-(thiophene-2-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]oxolane-3-carboxamide
CID 90698648
N-[3-[(3aS)-5-(1-acetylpiperidine-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid
CID 11671664
N-[3-[(3aS)-5-(2,3,6-trichlorobenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]oxolane-3-carboxamide
CID 91270068

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl N-[3-[(3aS)-5-(cyclobutanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]carbamate?
The IUPAC name of oxolan-3-yl N-[3-[(3aS)-5-(cyclobutanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]carbamate (CID 69147589) is oxolan-3-yl N-[3-[(3aS)-5-(cyclobutanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]carbamate.
What is the SMILES notation for oxolan-3-yl N-[3-[(3aS)-5-(cyclobutanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]carbamate?
The canonical SMILES for oxolan-3-yl N-[3-[(3aS)-5-(cyclobutanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]carbamate is O=C(NC(CCN1CC2CN(C(=O)C3CCC3)C[C@@H]2C1)c1ccccc1)OC1CCOC1.
What is the InChIKey of oxolan-3-yl N-[3-[(3aS)-5-(cyclobutanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]carbamate?
The InChIKey is QIRLPNPTAXNRFD-LEISRSHCSA-N. The full InChI is InChI=1S/C25H35N3O4/c29-24(19-7-4-8-19)28-15-20-13-27(14-21(20)16-28)11-9-23(18-5-2-1-3-6-18)26-25(30)32-22-10-12-31-17-22/h1-3,5-6,19-23H,4,7-17H2,(H,26,30)/t20-,21?,22?,23?/m0/s1.
What are the key properties of oxolan-3-yl N-[3-[(3aS)-5-(cyclobutanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]carbamate?
oxolan-3-yl N-[3-[(3aS)-5-(cyclobutanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]carbamate has a molecular weight of 441.57 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl N-[3-[(3aS)-5-(cyclobutanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]carbamate is sourced from PubChem (CID 69147589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).