cyclopropylmethyl [(2S)-2-[[1-[(1R,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutyl] carbonate

C35H57N5O8 — CID 143351705

About cyclopropylmethyl [(2S)-2-[[1-[(1R,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutyl] carbonate

cyclopropylmethyl [(2S)-2-[[1-[(1R,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutyl] carbonate (PubChem CID 143351705) has the molecular formula C35H57N5O8 and a molecular weight of 675.87 g/mol. Its IUPAC name is cyclopropylmethyl [(2S)-2-[[1-[(1R,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutyl] carbonate.

Molecular Properties

• Compound Name: cyclopropylmethyl [(2S)-2-[[1-[(1R,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutyl] carbonate
• PubChem CID: 143351705
• Molecular Formula: C35H57N5O8
• Molecular Weight: 675.87 g/mol
• Exact Mass: 675.42
• IUPAC Name: cyclopropylmethyl [(2S)-2-[[1-[(1R,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutyl] carbonate
• SMILES: C=CCNC(=O)C(=O)C(CCC)NC(=O)C1[C@@H]2[C@H](CN1C(=O)C(NC(=O)N[C@H](COC(=O)OCC1CC1)C(C)(C)C)C(C)(C)C)C2(C)C
• InChI: InChI=1S/C35H57N5O8/c1-11-13-22(26(41)29(43)36-16-12-2)37-28(42)25-24-21(35(24,9)10)17-40(25)30(44)27(34(6,7)8)39-31(45)38-23(33(3,4)5)19-48-32(46)47-18-20-14-15-20/h12,20-25,27H,2,11,13-19H2,1,3-10H3,(H,36,43)(H,37,42)(H2,38,39,45)/t21-,22?,23+,24-,25?,27?/m0/s1
• InChIKey: BYTCINDAEXTTNP-CYRANMFBSA-N
• XLogP: 3.32
• TPSA: 172.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	675.87
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl [(2S)-2-[[1-[(1R,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutyl] carbonate?

The IUPAC name of cyclopropylmethyl [(2S)-2-[[1-[(1R,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutyl] carbonate (CID 143351705) is cyclopropylmethyl [(2S)-2-[[1-[(1R,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutyl] carbonate.

What is the SMILES notation for cyclopropylmethyl [(2S)-2-[[1-[(1R,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutyl] carbonate?

The canonical SMILES for cyclopropylmethyl [(2S)-2-[[1-[(1R,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutyl] carbonate is C=CCNC(=O)C(=O)C(CCC)NC(=O)C1[C@@H]2[C@H](CN1C(=O)C(NC(=O)N[C@H](COC(=O)OCC1CC1)C(C)(C)C)C(C)(C)C)C2(C)C.

What is the InChIKey of cyclopropylmethyl [(2S)-2-[[1-[(1R,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutyl] carbonate?

The InChIKey is BYTCINDAEXTTNP-CYRANMFBSA-N. The full InChI is InChI=1S/C35H57N5O8/c1-11-13-22(26(41)29(43)36-16-12-2)37-28(42)25-24-21(35(24,9)10)17-40(25)30(44)27(34(6,7)8)39-31(45)38-23(33(3,4)5)19-48-32(46)47-18-20-14-15-20/h12,20-25,27H,2,11,13-19H2,1,3-10H3,(H,36,43)(H,37,42)(H2,38,39,45)/t21-,22?,23+,24-,25?,27?/m0/s1.

What are the key properties of cyclopropylmethyl [(2S)-2-[[1-[(1R,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutyl] carbonate?

cyclopropylmethyl [(2S)-2-[[1-[(1R,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutyl] carbonate has a molecular weight of 675.87 g/mol, XLogP of 3.32, 15 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropylmethyl [(2S)-2-[[1-[(1R,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutyl] carbonate is sourced from PubChem (CID 143351705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).