[(1R,2S)-2-aminocyclopentyl]methanol;dichloromethane;(1R,11S,15R)-5-[3-(2,4-difluorophenyl)propanoyl]-7-hydroxy-17-oxa-3,10-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-6,9-dione;ethane;trans-(1R,2R)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid

C44H63Cl2F2N3O10 — CID 159415375

About [(1R,2S)-2-aminocyclopentyl]methanol;dichloromethane;(1R,11S,15R)-5-[3-(2,4-difluorophenyl)propanoyl]-7-hydroxy-17-oxa-3,10-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-6,9-dione;ethane;trans-(1R,2R)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid

[(1R,2S)-2-aminocyclopentyl]methanol;dichloromethane;(1R,11S,15R)-5-[3-(2,4-difluorophenyl)propanoyl]-7-hydroxy-17-oxa-3,10-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-6,9-dione;ethane;trans-(1R,2R)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 159415375) has the molecular formula C44H63Cl2F2N3O10 and a molecular weight of 902.90 g/mol. Its IUPAC name is [(1R,2S)-2-aminocyclopentyl]methanol;dichloromethane;(1R,11S,15R)-5-[3-(2,4-difluorophenyl)propanoyl]-7-hydroxy-17-oxa-3,10-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-6,9-dione;ethane;trans-(1R,2R)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

• Compound Name: [(1R,2S)-2-aminocyclopentyl]methanol;dichloromethane;(1R,11S,15R)-5-[3-(2,4-difluorophenyl)propanoyl]-7-hydroxy-17-oxa-3,10-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-6,9-dione;ethane;trans-(1R,2R)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid
• PubChem CID: 159415375
• Molecular Formula: C44H63Cl2F2N3O10
• Molecular Weight: 902.90 g/mol
• Exact Mass: 901.39
• IUPAC Name: [(1R,2S)-2-aminocyclopentyl]methanol;dichloromethane;(1R,11S,15R)-5-[3-(2,4-difluorophenyl)propanoyl]-7-hydroxy-17-oxa-3,10-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-6,9-dione;ethane;trans-(1R,2R)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid
• SMILES: CC.CC(C)(C)OC(=O)C[C@H]1CCC[C@H]1C(=O)O.ClCCl.N[C@H]1CCC[C@H]1CO.O=C(CCc1ccc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N1[C@@H](C2)OC[C@@H]2CCC[C@@H]21
• InChI: InChI=1S/C23H22F2N2O5.C12H20O4.C6H13NO.C2H6.CH2Cl2/c24-14-6-4-12(16(25)8-14)5-7-18(28)15-9-26-10-19-27(17-3-1-2-13(17)11-32-19)23(31)20(26)22(30)21(15)29;1-12(2,3)16-10(13)7-8-5-4-6-9(8)11(14)15;7-6-3-1-2-5(6)4-8;1-2;2-1-3/h4,6,8-9,13,17,19,30H,1-3,5,7,10-11H2;8-9H,4-7H2,1-3H3,(H,14,15);5-6,8H,1-4,7H2;1-2H3;1H2/t13-,17-,19+;8-,9-;5-,6-;;/m010../s1
• InChIKey: LPCFFOVEHDJNEA-UFKZTHPWSA-N
• XLogP: 7.40
• TPSA: 198.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	902.90
LogP ≤ 5	7.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-aminocyclopentyl]methanol;dichloromethane;(1R,11S,15R)-5-[3-(2,4-difluorophenyl)propanoyl]-7-hydroxy-17-oxa-3,10-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-6,9-dione;ethane;trans-(1R,2R)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid?

The IUPAC name of [(1R,2S)-2-aminocyclopentyl]methanol;dichloromethane;(1R,11S,15R)-5-[3-(2,4-difluorophenyl)propanoyl]-7-hydroxy-17-oxa-3,10-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-6,9-dione;ethane;trans-(1R,2R)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 159415375) is [(1R,2S)-2-aminocyclopentyl]methanol;dichloromethane;(1R,11S,15R)-5-[3-(2,4-difluorophenyl)propanoyl]-7-hydroxy-17-oxa-3,10-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-6,9-dione;ethane;trans-(1R,2R)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid.

What is the SMILES notation for [(1R,2S)-2-aminocyclopentyl]methanol;dichloromethane;(1R,11S,15R)-5-[3-(2,4-difluorophenyl)propanoyl]-7-hydroxy-17-oxa-3,10-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-6,9-dione;ethane;trans-(1R,2R)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid?

The canonical SMILES for [(1R,2S)-2-aminocyclopentyl]methanol;dichloromethane;(1R,11S,15R)-5-[3-(2,4-difluorophenyl)propanoyl]-7-hydroxy-17-oxa-3,10-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-6,9-dione;ethane;trans-(1R,2R)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid is CC.CC(C)(C)OC(=O)C[C@H]1CCC[C@H]1C(=O)O.ClCCl.N[C@H]1CCC[C@H]1CO.O=C(CCc1ccc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N1[C@@H](C2)OC[C@@H]2CCC[C@@H]21.

What is the InChIKey of [(1R,2S)-2-aminocyclopentyl]methanol;dichloromethane;(1R,11S,15R)-5-[3-(2,4-difluorophenyl)propanoyl]-7-hydroxy-17-oxa-3,10-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-6,9-dione;ethane;trans-(1R,2R)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid?

The InChIKey is LPCFFOVEHDJNEA-UFKZTHPWSA-N. The full InChI is InChI=1S/C23H22F2N2O5.C12H20O4.C6H13NO.C2H6.CH2Cl2/c24-14-6-4-12(16(25)8-14)5-7-18(28)15-9-26-10-19-27(17-3-1-2-13(17)11-32-19)23(31)20(26)22(30)21(15)29;1-12(2,3)16-10(13)7-8-5-4-6-9(8)11(14)15;7-6-3-1-2-5(6)4-8;1-2;2-1-3/h4,6,8-9,13,17,19,30H,1-3,5,7,10-11H2;8-9H,4-7H2,1-3H3,(H,14,15);5-6,8H,1-4,7H2;1-2H3;1H2/t13-,17-,19+;8-,9-;5-,6-;;/m010../s1.

What are the key properties of [(1R,2S)-2-aminocyclopentyl]methanol;dichloromethane;(1R,11S,15R)-5-[3-(2,4-difluorophenyl)propanoyl]-7-hydroxy-17-oxa-3,10-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-6,9-dione;ethane;trans-(1R,2R)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid?

[(1R,2S)-2-aminocyclopentyl]methanol;dichloromethane;(1R,11S,15R)-5-[3-(2,4-difluorophenyl)propanoyl]-7-hydroxy-17-oxa-3,10-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-6,9-dione;ethane;trans-(1R,2R)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 902.90 g/mol, XLogP of 7.40, 8 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,2S)-2-aminocyclopentyl]methanol;dichloromethane;(1R,11S,15R)-5-[3-(2,4-difluorophenyl)propanoyl]-7-hydroxy-17-oxa-3,10-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-6,9-dione;ethane;trans-(1R,2R)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 159415375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).