3-[[2-[[2-[[2-[[2-[[2-[[2-[[3-(ethylamino)-3-oxopropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid

C20H32N8O10 — CID 175713469

About 3-[[2-[[2-[[2-[[2-[[2-[[2-[[3-(ethylamino)-3-oxopropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid

3-[[2-[[2-[[2-[[2-[[2-[[2-[[3-(ethylamino)-3-oxopropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid (PubChem CID 175713469) has the molecular formula C20H32N8O10 and a molecular weight of 544.52 g/mol. Its IUPAC name is 3-[[2-[[2-[[2-[[2-[[2-[[2-[[3-(ethylamino)-3-oxopropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid.

Molecular Properties

• Compound Name: 3-[[2-[[2-[[2-[[2-[[2-[[2-[[3-(ethylamino)-3-oxopropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid
• PubChem CID: 175713469
• Molecular Formula: C20H32N8O10
• Molecular Weight: 544.52 g/mol
• Exact Mass: 544.22
• IUPAC Name: 3-[[2-[[2-[[2-[[2-[[2-[[2-[[3-(ethylamino)-3-oxopropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid
• SMILES: CCNC(=O)CC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCCC(=O)O
• InChI: InChI=1S/C20H32N8O10/c1-2-21-12(29)5-13(30)23-7-15(32)25-9-17(34)27-11-19(36)28-10-18(35)26-8-16(33)24-6-14(31)22-4-3-20(37)38/h2-11H2,1H3,(H,21,29)(H,22,31)(H,23,30)(H,24,33)(H,25,32)(H,26,35)(H,27,34)(H,28,36)(H,37,38)
• InChIKey: XSHBRXNAQCYMPP-UHFFFAOYSA-N
• XLogP: -6.20
• TPSA: 270.10 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.52
LogP ≤ 5	-6.20
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[[2-[[2-[[2-[[2-[[2-[[3-(ethylamino)-3-oxopropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid?

The IUPAC name of 3-[[2-[[2-[[2-[[2-[[2-[[2-[[3-(ethylamino)-3-oxopropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid (CID 175713469) is 3-[[2-[[2-[[2-[[2-[[2-[[2-[[3-(ethylamino)-3-oxopropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid.

What is the SMILES notation for 3-[[2-[[2-[[2-[[2-[[2-[[2-[[3-(ethylamino)-3-oxopropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid?

The canonical SMILES for 3-[[2-[[2-[[2-[[2-[[2-[[2-[[3-(ethylamino)-3-oxopropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid is CCNC(=O)CC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCCC(=O)O.

What is the InChIKey of 3-[[2-[[2-[[2-[[2-[[2-[[2-[[3-(ethylamino)-3-oxopropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid?

The InChIKey is XSHBRXNAQCYMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N8O10/c1-2-21-12(29)5-13(30)23-7-15(32)25-9-17(34)27-11-19(36)28-10-18(35)26-8-16(33)24-6-14(31)22-4-3-20(37)38/h2-11H2,1H3,(H,21,29)(H,22,31)(H,23,30)(H,24,33)(H,25,32)(H,26,35)(H,27,34)(H,28,36)(H,37,38).

What are the key properties of 3-[[2-[[2-[[2-[[2-[[2-[[2-[[3-(ethylamino)-3-oxopropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid?

3-[[2-[[2-[[2-[[2-[[2-[[2-[[3-(ethylamino)-3-oxopropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid has a molecular weight of 544.52 g/mol, XLogP of -6.20, 18 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-[[2-[[2-[[2-[[2-[[2-[[3-(ethylamino)-3-oxopropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid is sourced from PubChem (CID 175713469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).