propan-2-yl 2-[[1-[2-[(1-amino-5-methyl-1,2-dioxoheptan-3-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate

C25H43N5O7 — CID 143315023

About propan-2-yl 2-[[1-[2-[(1-amino-5-methyl-1,2-dioxoheptan-3-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate

propan-2-yl 2-[[1-[2-[(1-amino-5-methyl-1,2-dioxoheptan-3-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate (PubChem CID 143315023) has the molecular formula C25H43N5O7 and a molecular weight of 525.65 g/mol. Its IUPAC name is propan-2-yl 2-[[1-[2-[(1-amino-5-methyl-1,2-dioxoheptan-3-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate.

Molecular Properties

• Compound Name: propan-2-yl 2-[[1-[2-[(1-amino-5-methyl-1,2-dioxoheptan-3-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate
• PubChem CID: 143315023
• Molecular Formula: C25H43N5O7
• Molecular Weight: 525.65 g/mol
• Exact Mass: 525.32
• IUPAC Name: propan-2-yl 2-[[1-[2-[(1-amino-5-methyl-1,2-dioxoheptan-3-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate
• SMILES: CCC(C)CC(NC(=O)C1CCCN1C(=O)C(NC(=O)NCC(=O)OC(C)C)C(C)(C)C)C(=O)C(N)=O
• InChI: InChI=1S/C25H43N5O7/c1-8-15(4)12-16(19(32)21(26)33)28-22(34)17-10-9-11-30(17)23(35)20(25(5,6)7)29-24(36)27-13-18(31)37-14(2)3/h14-17,20H,8-13H2,1-7H3,(H2,26,33)(H,28,34)(H2,27,29,36)
• InChIKey: GIVHJYVGWKSTQE-UHFFFAOYSA-N
• XLogP: 0.62
• TPSA: 177.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.65
LogP ≤ 5	0.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[1-[2-[(1-amino-5-methyl-1,2-dioxoheptan-3-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate?

The IUPAC name of propan-2-yl 2-[[1-[2-[(1-amino-5-methyl-1,2-dioxoheptan-3-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate (CID 143315023) is propan-2-yl 2-[[1-[2-[(1-amino-5-methyl-1,2-dioxoheptan-3-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate.

What is the SMILES notation for propan-2-yl 2-[[1-[2-[(1-amino-5-methyl-1,2-dioxoheptan-3-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate?

The canonical SMILES for propan-2-yl 2-[[1-[2-[(1-amino-5-methyl-1,2-dioxoheptan-3-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate is CCC(C)CC(NC(=O)C1CCCN1C(=O)C(NC(=O)NCC(=O)OC(C)C)C(C)(C)C)C(=O)C(N)=O.

What is the InChIKey of propan-2-yl 2-[[1-[2-[(1-amino-5-methyl-1,2-dioxoheptan-3-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate?

The InChIKey is GIVHJYVGWKSTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43N5O7/c1-8-15(4)12-16(19(32)21(26)33)28-22(34)17-10-9-11-30(17)23(35)20(25(5,6)7)29-24(36)27-13-18(31)37-14(2)3/h14-17,20H,8-13H2,1-7H3,(H2,26,33)(H,28,34)(H2,27,29,36).

What are the key properties of propan-2-yl 2-[[1-[2-[(1-amino-5-methyl-1,2-dioxoheptan-3-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate?

propan-2-yl 2-[[1-[2-[(1-amino-5-methyl-1,2-dioxoheptan-3-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate has a molecular weight of 525.65 g/mol, XLogP of 0.62, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl 2-[[1-[2-[(1-amino-5-methyl-1,2-dioxoheptan-3-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate is sourced from PubChem (CID 143315023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).