3-(1H-indol-3-yl)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopropyl]amino]propanoic acid

C19H25N3O5 — CID 23179336

About 3-(1H-indol-3-yl)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopropyl]amino]propanoic acid

3-(1H-indol-3-yl)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopropyl]amino]propanoic acid (PubChem CID 23179336) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopropyl]amino]propanoic acid.

Molecular Properties

• Compound Name: 3-(1H-indol-3-yl)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopropyl]amino]propanoic acid
• PubChem CID: 23179336
• Molecular Formula: C19H25N3O5
• Molecular Weight: 375.43 g/mol
• Exact Mass: 375.18
• IUPAC Name: 3-(1H-indol-3-yl)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopropyl]amino]propanoic acid
• SMILES: CC(C)(C)OC(=O)NCC(=O)CNC(Cc1c[nH]c2ccccc12)C(=O)O
• InChI: InChI=1S/C19H25N3O5/c1-19(2,3)27-18(26)22-11-13(23)10-21-16(17(24)25)8-12-9-20-15-7-5-4-6-14(12)15/h4-7,9,16,20-21H,8,10-11H2,1-3H3,(H,22,26)(H,24,25)
• InChIKey: QLEJMIRTJOATPL-UHFFFAOYSA-N
• XLogP: 1.85
• TPSA: 120.52 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.43
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopropyl]amino]propanoic acid?

The IUPAC name of 3-(1H-indol-3-yl)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopropyl]amino]propanoic acid (CID 23179336) is 3-(1H-indol-3-yl)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopropyl]amino]propanoic acid.

What is the SMILES notation for 3-(1H-indol-3-yl)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopropyl]amino]propanoic acid?

The canonical SMILES for 3-(1H-indol-3-yl)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopropyl]amino]propanoic acid is CC(C)(C)OC(=O)NCC(=O)CNC(Cc1c[nH]c2ccccc12)C(=O)O.

What is the InChIKey of 3-(1H-indol-3-yl)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopropyl]amino]propanoic acid?

The InChIKey is QLEJMIRTJOATPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-19(2,3)27-18(26)22-11-13(23)10-21-16(17(24)25)8-12-9-20-15-7-5-4-6-14(12)15/h4-7,9,16,20-21H,8,10-11H2,1-3H3,(H,22,26)(H,24,25).

What are the key properties of 3-(1H-indol-3-yl)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopropyl]amino]propanoic acid?

3-(1H-indol-3-yl)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopropyl]amino]propanoic acid has a molecular weight of 375.43 g/mol, XLogP of 1.85, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1H-indol-3-yl)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopropyl]amino]propanoic acid is sourced from PubChem (CID 23179336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).