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

C33H51N5O7 — CID 70321471

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

dicyclopropylmethyl (2S)-2-[[(2S)-1-[(1R,2S,5S)-2-[[2,3-dioxo-3-(prop-2-enylamino)propyl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3-methylbutanoate (PubChem CID 70321471) has the molecular formula C33H51N5O7 and a molecular weight of 629.80 g/mol. Its IUPAC name is dicyclopropylmethyl (2S)-2-[[(2S)-1-[(1R,2S,5S)-2-[[2,3-dioxo-3-(prop-2-enylamino)propyl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3-methylbutanoate.

Molecular Properties

• Compound Name: dicyclopropylmethyl (2S)-2-[[(2S)-1-[(1R,2S,5S)-2-[[2,3-dioxo-3-(prop-2-enylamino)propyl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3-methylbutanoate
• PubChem CID: 70321471
• Molecular Formula: C33H51N5O7
• Molecular Weight: 629.80 g/mol
• Exact Mass: 629.38
• IUPAC Name: dicyclopropylmethyl (2S)-2-[[(2S)-1-[(1R,2S,5S)-2-[[2,3-dioxo-3-(prop-2-enylamino)propyl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3-methylbutanoate
• SMILES: C=CCNC(=O)C(=O)CNC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](C(=O)OC(C1CC1)C1CC1)C(C)C)C(C)(C)C)C2(C)C
• InChI: InChI=1S/C33H51N5O7/c1-9-14-34-27(40)21(39)15-35-28(41)24-22-20(33(22,7)8)16-38(24)29(42)26(32(4,5)6)37-31(44)36-23(17(2)3)30(43)45-25(18-10-11-18)19-12-13-19/h9,17-20,22-26H,1,10-16H2,2-8H3,(H,34,40)(H,35,41)(H2,36,37,44)/t20-,22-,23-,24-,26+/m0/s1
• InChIKey: PLAWWOAKHXJDLO-GPXGYFQOSA-N
• XLogP: 1.93
• TPSA: 163.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	629.80
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

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 dicyclopropylmethyl (2S)-2-[[(2S)-1-[(1R,2S,5S)-2-[[2,3-dioxo-3-(prop-2-enylamino)propyl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3-methylbutanoate?

The IUPAC name of dicyclopropylmethyl (2S)-2-[[(2S)-1-[(1R,2S,5S)-2-[[2,3-dioxo-3-(prop-2-enylamino)propyl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3-methylbutanoate (CID 70321471) is dicyclopropylmethyl (2S)-2-[[(2S)-1-[(1R,2S,5S)-2-[[2,3-dioxo-3-(prop-2-enylamino)propyl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3-methylbutanoate.

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

The canonical SMILES for dicyclopropylmethyl (2S)-2-[[(2S)-1-[(1R,2S,5S)-2-[[2,3-dioxo-3-(prop-2-enylamino)propyl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3-methylbutanoate is C=CCNC(=O)C(=O)CNC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](C(=O)OC(C1CC1)C1CC1)C(C)C)C(C)(C)C)C2(C)C.

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

The InChIKey is PLAWWOAKHXJDLO-GPXGYFQOSA-N. The full InChI is InChI=1S/C33H51N5O7/c1-9-14-34-27(40)21(39)15-35-28(41)24-22-20(33(22,7)8)16-38(24)29(42)26(32(4,5)6)37-31(44)36-23(17(2)3)30(43)45-25(18-10-11-18)19-12-13-19/h9,17-20,22-26H,1,10-16H2,2-8H3,(H,34,40)(H,35,41)(H2,36,37,44)/t20-,22-,23-,24-,26+/m0/s1.

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

dicyclopropylmethyl (2S)-2-[[(2S)-1-[(1R,2S,5S)-2-[[2,3-dioxo-3-(prop-2-enylamino)propyl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3-methylbutanoate has a molecular weight of 629.80 g/mol, XLogP of 1.93, 14 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for dicyclopropylmethyl (2S)-2-[[(2S)-1-[(1R,2S,5S)-2-[[2,3-dioxo-3-(prop-2-enylamino)propyl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3-methylbutanoate is sourced from PubChem (CID 70321471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).