[cyclopropyl(difluoro)methyl]phosphane;cyclopropylmethyl 2-[[1-[2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate;propane

C32H54F2N5O7P — CID 143315487

About [cyclopropyl(difluoro)methyl]phosphane;cyclopropylmethyl 2-[[1-[2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate;propane

[cyclopropyl(difluoro)methyl]phosphane;cyclopropylmethyl 2-[[1-[2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate;propane (PubChem CID 143315487) has the molecular formula C32H54F2N5O7P and a molecular weight of 689.78 g/mol. Its IUPAC name is [cyclopropyl(difluoro)methyl]phosphane;cyclopropylmethyl 2-[[1-[2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate;propane.

Molecular Properties

• Compound Name: [cyclopropyl(difluoro)methyl]phosphane;cyclopropylmethyl 2-[[1-[2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate;propane
• PubChem CID: 143315487
• Molecular Formula: C32H54F2N5O7P
• Molecular Weight: 689.78 g/mol
• Exact Mass: 689.37
• IUPAC Name: [cyclopropyl(difluoro)methyl]phosphane;cyclopropylmethyl 2-[[1-[2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate;propane
• SMILES: CC(C)(C)C(NC(=O)NCC(=O)OCC1CC1)C(=O)N1CCCC1C(=O)NC(CC1CC1)C(=O)C(N)=O.CCC.FC(F)(P)C1CC1
• InChI: InChI=1S/C25H39N5O7.C4H7F2P.C3H8/c1-25(2,3)20(29-24(36)27-12-18(31)37-13-15-8-9-15)23(35)30-10-4-5-17(30)22(34)28-16(11-14-6-7-14)19(32)21(26)33;5-4(6,7)3-1-2-3;1-3-2/h14-17,20H,4-13H2,1-3H3,(H2,26,33)(H,28,34)(H2,27,29,36);3H,1-2,7H2;3H2,1-2H3
• InChIKey: REDQFGBBJVTYKD-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 177.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	689.78
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [cyclopropyl(difluoro)methyl]phosphane;cyclopropylmethyl 2-[[1-[2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate;propane?

The IUPAC name of [cyclopropyl(difluoro)methyl]phosphane;cyclopropylmethyl 2-[[1-[2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate;propane (CID 143315487) is [cyclopropyl(difluoro)methyl]phosphane;cyclopropylmethyl 2-[[1-[2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate;propane.

What is the SMILES notation for [cyclopropyl(difluoro)methyl]phosphane;cyclopropylmethyl 2-[[1-[2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate;propane?

The canonical SMILES for [cyclopropyl(difluoro)methyl]phosphane;cyclopropylmethyl 2-[[1-[2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate;propane is CC(C)(C)C(NC(=O)NCC(=O)OCC1CC1)C(=O)N1CCCC1C(=O)NC(CC1CC1)C(=O)C(N)=O.CCC.FC(F)(P)C1CC1.

What is the InChIKey of [cyclopropyl(difluoro)methyl]phosphane;cyclopropylmethyl 2-[[1-[2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate;propane?

The InChIKey is REDQFGBBJVTYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N5O7.C4H7F2P.C3H8/c1-25(2,3)20(29-24(36)27-12-18(31)37-13-15-8-9-15)23(35)30-10-4-5-17(30)22(34)28-16(11-14-6-7-14)19(32)21(26)33;5-4(6,7)3-1-2-3;1-3-2/h14-17,20H,4-13H2,1-3H3,(H2,26,33)(H,28,34)(H2,27,29,36);3H,1-2,7H2;3H2,1-2H3.

What are the key properties of [cyclopropyl(difluoro)methyl]phosphane;cyclopropylmethyl 2-[[1-[2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate;propane?

[cyclopropyl(difluoro)methyl]phosphane;cyclopropylmethyl 2-[[1-[2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate;propane has a molecular weight of 689.78 g/mol, XLogP of 3.26, 13 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [cyclopropyl(difluoro)methyl]phosphane;cyclopropylmethyl 2-[[1-[2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate;propane is sourced from PubChem (CID 143315487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).