2-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]acetyl]amino]acetic acid

C17H21N5O5 — CID 19944990

About 2-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]acetyl]amino]acetic acid

2-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]acetyl]amino]acetic acid (PubChem CID 19944990) has the molecular formula C17H21N5O5 and a molecular weight of 375.39 g/mol. Its IUPAC name is 2-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]acetyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]acetyl]amino]acetic acid
• PubChem CID: 19944990
• Molecular Formula: C17H21N5O5
• Molecular Weight: 375.39 g/mol
• Exact Mass: 375.15
• IUPAC Name: 2-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]acetyl]amino]acetic acid
• SMILES: NC(Cc1c[nH]c2ccccc12)C(=O)NCC(=O)NCC(=O)NCC(=O)O
• InChI: InChI=1S/C17H21N5O5/c18-12(5-10-6-19-13-4-2-1-3-11(10)13)17(27)22-8-15(24)20-7-14(23)21-9-16(25)26/h1-4,6,12,19H,5,7-9,18H2,(H,20,24)(H,21,23)(H,22,27)(H,25,26)
• InChIKey: ZJKAPLSVKQSVCX-UHFFFAOYSA-N
• XLogP: -1.53
• TPSA: 166.41 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	375.39
LogP ≤ 5	-1.53
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]acetyl]amino]acetic acid?

The IUPAC name of 2-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]acetyl]amino]acetic acid (CID 19944990) is 2-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]acetyl]amino]acetic acid.

What is the SMILES notation for 2-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]acetyl]amino]acetic acid?

The canonical SMILES for 2-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]acetyl]amino]acetic acid is NC(Cc1c[nH]c2ccccc12)C(=O)NCC(=O)NCC(=O)NCC(=O)O.

What is the InChIKey of 2-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]acetyl]amino]acetic acid?

The InChIKey is ZJKAPLSVKQSVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O5/c18-12(5-10-6-19-13-4-2-1-3-11(10)13)17(27)22-8-15(24)20-7-14(23)21-9-16(25)26/h1-4,6,12,19H,5,7-9,18H2,(H,20,24)(H,21,23)(H,22,27)(H,25,26).

What are the key properties of 2-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]acetyl]amino]acetic acid?

2-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]acetyl]amino]acetic acid has a molecular weight of 375.39 g/mol, XLogP of -1.53, 9 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 19944990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).