cyclopropanol;2-[3,5-dimethyl-4-[2-[[4-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]carbamoyloxy]ethyl]phenyl]-2-[(1-oxo-2H-isoquinolin-7-yl)amino]acetic acid;formaldehyde

C40H50N4O9 — CID 143711496

About cyclopropanol;2-[3,5-dimethyl-4-[2-[[4-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]carbamoyloxy]ethyl]phenyl]-2-[(1-oxo-2H-isoquinolin-7-yl)amino]acetic acid;formaldehyde

cyclopropanol;2-[3,5-dimethyl-4-[2-[[4-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]carbamoyloxy]ethyl]phenyl]-2-[(1-oxo-2H-isoquinolin-7-yl)amino]acetic acid;formaldehyde (PubChem CID 143711496) has the molecular formula C40H50N4O9 and a molecular weight of 730.86 g/mol. Its IUPAC name is cyclopropanol;2-[3,5-dimethyl-4-[2-[[4-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]carbamoyloxy]ethyl]phenyl]-2-[(1-oxo-2H-isoquinolin-7-yl)amino]acetic acid;formaldehyde.

Molecular Properties

• Compound Name: cyclopropanol;2-[3,5-dimethyl-4-[2-[[4-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]carbamoyloxy]ethyl]phenyl]-2-[(1-oxo-2H-isoquinolin-7-yl)amino]acetic acid;formaldehyde
• PubChem CID: 143711496
• Molecular Formula: C40H50N4O9
• Molecular Weight: 730.86 g/mol
• Exact Mass: 730.36
• IUPAC Name: cyclopropanol;2-[3,5-dimethyl-4-[2-[[4-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]carbamoyloxy]ethyl]phenyl]-2-[(1-oxo-2H-isoquinolin-7-yl)amino]acetic acid;formaldehyde
• SMILES: C=O.Cc1ccc(NC(=O)OCCc2c(C)cc(C(Nc3ccc4cc[nH]c(=O)c4c3)C(=O)O)cc2C)cc1CN(C)C(=O)OC(C)(C)C.OC1CC1
• InChI: InChI=1S/C36H42N4O7.C3H6O.CH2O/c1-21-8-10-27(18-26(21)20-40(7)35(45)47-36(4,5)6)39-34(44)46-15-13-29-22(2)16-25(17-23(29)3)31(33(42)43)38-28-11-9-24-12-14-37-32(41)30(24)19-28;4-3-1-2-3;1-2/h8-12,14,16-19,31,38H,13,15,20H2,1-7H3,(H,37,41)(H,39,44)(H,42,43);3-4H,1-2H2;1H2
• InChIKey: XTLVTXSUVHRBGD-UHFFFAOYSA-N
• XLogP: 6.81
• TPSA: 187.36 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	730.86
LogP ≤ 5	6.81
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of cyclopropanol;2-[3,5-dimethyl-4-[2-[[4-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]carbamoyloxy]ethyl]phenyl]-2-[(1-oxo-2H-isoquinolin-7-yl)amino]acetic acid;formaldehyde?

The IUPAC name of cyclopropanol;2-[3,5-dimethyl-4-[2-[[4-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]carbamoyloxy]ethyl]phenyl]-2-[(1-oxo-2H-isoquinolin-7-yl)amino]acetic acid;formaldehyde (CID 143711496) is cyclopropanol;2-[3,5-dimethyl-4-[2-[[4-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]carbamoyloxy]ethyl]phenyl]-2-[(1-oxo-2H-isoquinolin-7-yl)amino]acetic acid;formaldehyde.

What is the SMILES notation for cyclopropanol;2-[3,5-dimethyl-4-[2-[[4-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]carbamoyloxy]ethyl]phenyl]-2-[(1-oxo-2H-isoquinolin-7-yl)amino]acetic acid;formaldehyde?

The canonical SMILES for cyclopropanol;2-[3,5-dimethyl-4-[2-[[4-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]carbamoyloxy]ethyl]phenyl]-2-[(1-oxo-2H-isoquinolin-7-yl)amino]acetic acid;formaldehyde is C=O.Cc1ccc(NC(=O)OCCc2c(C)cc(C(Nc3ccc4cc[nH]c(=O)c4c3)C(=O)O)cc2C)cc1CN(C)C(=O)OC(C)(C)C.OC1CC1.

What is the InChIKey of cyclopropanol;2-[3,5-dimethyl-4-[2-[[4-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]carbamoyloxy]ethyl]phenyl]-2-[(1-oxo-2H-isoquinolin-7-yl)amino]acetic acid;formaldehyde?

The InChIKey is XTLVTXSUVHRBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42N4O7.C3H6O.CH2O/c1-21-8-10-27(18-26(21)20-40(7)35(45)47-36(4,5)6)39-34(44)46-15-13-29-22(2)16-25(17-23(29)3)31(33(42)43)38-28-11-9-24-12-14-37-32(41)30(24)19-28;4-3-1-2-3;1-2/h8-12,14,16-19,31,38H,13,15,20H2,1-7H3,(H,37,41)(H,39,44)(H,42,43);3-4H,1-2H2;1H2.

What are the key properties of cyclopropanol;2-[3,5-dimethyl-4-[2-[[4-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]carbamoyloxy]ethyl]phenyl]-2-[(1-oxo-2H-isoquinolin-7-yl)amino]acetic acid;formaldehyde?

cyclopropanol;2-[3,5-dimethyl-4-[2-[[4-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]carbamoyloxy]ethyl]phenyl]-2-[(1-oxo-2H-isoquinolin-7-yl)amino]acetic acid;formaldehyde has a molecular weight of 730.86 g/mol, XLogP of 6.81, 10 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropanol;2-[3,5-dimethyl-4-[2-[[4-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]carbamoyloxy]ethyl]phenyl]-2-[(1-oxo-2H-isoquinolin-7-yl)amino]acetic acid;formaldehyde is sourced from PubChem (CID 143711496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).