cyclopropylmethyl 2-[[1-[2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-4-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]propanoate

C31H51N5O7 — CID 143354230

About cyclopropylmethyl 2-[[1-[2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-4-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]propanoate

cyclopropylmethyl 2-[[1-[2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-4-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]propanoate (PubChem CID 143354230) has the molecular formula C31H51N5O7 and a molecular weight of 605.78 g/mol. Its IUPAC name is cyclopropylmethyl 2-[[1-[2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-4-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]propanoate.

Molecular Properties

• Compound Name: cyclopropylmethyl 2-[[1-[2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-4-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]propanoate
• PubChem CID: 143354230
• Molecular Formula: C31H51N5O7
• Molecular Weight: 605.78 g/mol
• Exact Mass: 605.38
• IUPAC Name: cyclopropylmethyl 2-[[1-[2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-4-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]propanoate
• SMILES: C=CCNC(=O)C(=O)C(CCC)NC(=O)C1CC(C(C)C)CN1C(=O)C(NC(=O)NC(C)C(=O)OCC1CC1)C(C)(C)C
• InChI: InChI=1S/C31H51N5O7/c1-9-11-22(24(37)27(39)32-14-10-2)34-26(38)23-15-21(18(3)4)16-36(23)28(40)25(31(6,7)8)35-30(42)33-19(5)29(41)43-17-20-12-13-20/h10,18-23,25H,2,9,11-17H2,1,3-8H3,(H,32,39)(H,34,38)(H2,33,35,42)
• InChIKey: OZEWTHOQNVSRHP-UHFFFAOYSA-N
• XLogP: 2.07
• TPSA: 163.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	605.78
LogP ≤ 5	2.07
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 cyclopropylmethyl 2-[[1-[2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-4-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]propanoate?

The IUPAC name of cyclopropylmethyl 2-[[1-[2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-4-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]propanoate (CID 143354230) is cyclopropylmethyl 2-[[1-[2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-4-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]propanoate.

What is the SMILES notation for cyclopropylmethyl 2-[[1-[2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-4-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]propanoate?

The canonical SMILES for cyclopropylmethyl 2-[[1-[2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-4-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]propanoate is C=CCNC(=O)C(=O)C(CCC)NC(=O)C1CC(C(C)C)CN1C(=O)C(NC(=O)NC(C)C(=O)OCC1CC1)C(C)(C)C.

What is the InChIKey of cyclopropylmethyl 2-[[1-[2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-4-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]propanoate?

The InChIKey is OZEWTHOQNVSRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H51N5O7/c1-9-11-22(24(37)27(39)32-14-10-2)34-26(38)23-15-21(18(3)4)16-36(23)28(40)25(31(6,7)8)35-30(42)33-19(5)29(41)43-17-20-12-13-20/h10,18-23,25H,2,9,11-17H2,1,3-8H3,(H,32,39)(H,34,38)(H2,33,35,42).

What are the key properties of cyclopropylmethyl 2-[[1-[2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-4-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]propanoate?

cyclopropylmethyl 2-[[1-[2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-4-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]propanoate has a molecular weight of 605.78 g/mol, XLogP of 2.07, 15 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropylmethyl 2-[[1-[2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-4-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]propanoate is sourced from PubChem (CID 143354230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).