ethyl 2-[[butan-2-yl-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]carbamoyl]amino]acetate

C20H32N4O4 — CID 5114782

About ethyl 2-[[butan-2-yl-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]carbamoyl]amino]acetate

ethyl 2-[[butan-2-yl-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]carbamoyl]amino]acetate (PubChem CID 5114782) has the molecular formula C20H32N4O4 and a molecular weight of 392.50 g/mol. Its IUPAC name is ethyl 2-[[butan-2-yl-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]carbamoyl]amino]acetate.

Molecular Properties

• Compound Name: ethyl 2-[[butan-2-yl-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]carbamoyl]amino]acetate
• PubChem CID: 5114782
• Molecular Formula: C20H32N4O4
• Molecular Weight: 392.50 g/mol
• Exact Mass: 392.24
• IUPAC Name: ethyl 2-[[butan-2-yl-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]carbamoyl]amino]acetate
• SMILES: CCOC(=O)CNC(=O)N(CC(=O)N(Cc1cccn1C)C1CC1)C(C)CC
• InChI: InChI=1S/C20H32N4O4/c1-5-15(3)23(20(27)21-12-19(26)28-6-2)14-18(25)24(16-9-10-16)13-17-8-7-11-22(17)4/h7-8,11,15-16H,5-6,9-10,12-14H2,1-4H3,(H,21,27)
• InChIKey: OBKZEQURMFPUGJ-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 83.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.50
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[butan-2-yl-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]carbamoyl]amino]acetate?

The IUPAC name of ethyl 2-[[butan-2-yl-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]carbamoyl]amino]acetate (CID 5114782) is ethyl 2-[[butan-2-yl-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]carbamoyl]amino]acetate.

What is the SMILES notation for ethyl 2-[[butan-2-yl-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]carbamoyl]amino]acetate?

The canonical SMILES for ethyl 2-[[butan-2-yl-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]carbamoyl]amino]acetate is CCOC(=O)CNC(=O)N(CC(=O)N(Cc1cccn1C)C1CC1)C(C)CC.

What is the InChIKey of ethyl 2-[[butan-2-yl-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]carbamoyl]amino]acetate?

The InChIKey is OBKZEQURMFPUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O4/c1-5-15(3)23(20(27)21-12-19(26)28-6-2)14-18(25)24(16-9-10-16)13-17-8-7-11-22(17)4/h7-8,11,15-16H,5-6,9-10,12-14H2,1-4H3,(H,21,27).

What are the key properties of ethyl 2-[[butan-2-yl-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]carbamoyl]amino]acetate?

ethyl 2-[[butan-2-yl-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]carbamoyl]amino]acetate has a molecular weight of 392.50 g/mol, XLogP of 1.89, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[[butan-2-yl-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]carbamoyl]amino]acetate is sourced from PubChem (CID 5114782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).