2-[ethyl-[3-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid

C20H27N5O3 — CID 122092571

About 2-[ethyl-[3-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid

2-[ethyl-[3-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid (PubChem CID 122092571) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-[ethyl-[3-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[ethyl-[3-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid
• PubChem CID: 122092571
• Molecular Formula: C20H27N5O3
• Molecular Weight: 385.47 g/mol
• Exact Mass: 385.21
• IUPAC Name: 2-[ethyl-[3-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid
• SMILES: CCN(CC(=O)O)C1CC(NC(=O)Nc2cc(-c3ccnn3C)ccc2C)C1
• InChI: InChI=1S/C20H27N5O3/c1-4-25(12-19(26)27)16-10-15(11-16)22-20(28)23-17-9-14(6-5-13(17)2)18-7-8-21-24(18)3/h5-9,15-16H,4,10-12H2,1-3H3,(H,26,27)(H2,22,23,28)
• InChIKey: FSAKVOGZHQTWBO-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 99.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.47
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid?

The IUPAC name of 2-[ethyl-[3-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid (CID 122092571) is 2-[ethyl-[3-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid.

What is the SMILES notation for 2-[ethyl-[3-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid?

The canonical SMILES for 2-[ethyl-[3-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(NC(=O)Nc2cc(-c3ccnn3C)ccc2C)C1.

What is the InChIKey of 2-[ethyl-[3-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid?

The InChIKey is FSAKVOGZHQTWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-4-25(12-19(26)27)16-10-15(11-16)22-20(28)23-17-9-14(6-5-13(17)2)18-7-8-21-24(18)3/h5-9,15-16H,4,10-12H2,1-3H3,(H,26,27)(H2,22,23,28).

What are the key properties of 2-[ethyl-[3-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid?

2-[ethyl-[3-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid has a molecular weight of 385.47 g/mol, XLogP of 2.45, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[ethyl-[3-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122092571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).