2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-(2H-tetrazol-5-ylmethyl)indol-3-yl]propanoic acid

C28H24N6O4 — CID 130476411

About 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-(2H-tetrazol-5-ylmethyl)indol-3-yl]propanoic acid

2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-(2H-tetrazol-5-ylmethyl)indol-3-yl]propanoic acid (PubChem CID 130476411) has the molecular formula C28H24N6O4 and a molecular weight of 508.54 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-(2H-tetrazol-5-ylmethyl)indol-3-yl]propanoic acid.

Molecular Properties

• Compound Name: 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-(2H-tetrazol-5-ylmethyl)indol-3-yl]propanoic acid
• PubChem CID: 130476411
• Molecular Formula: C28H24N6O4
• Molecular Weight: 508.54 g/mol
• Exact Mass: 508.19
• IUPAC Name: 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-(2H-tetrazol-5-ylmethyl)indol-3-yl]propanoic acid
• SMILES: O=C(NC(Cc1cn(Cc2nn[nH]n2)c2ccccc12)C(=O)O)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C28H24N6O4/c35-27(36)24(13-17-14-34(15-26-30-32-33-31-26)25-12-6-5-7-18(17)25)29-28(37)38-16-23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23/h1-12,14,23-24H,13,15-16H2,(H,29,37)(H,35,36)(H,30,31,32,33)
• InChIKey: YUJUDCUPSNDTGM-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 135.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.54
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-(2H-tetrazol-5-ylmethyl)indol-3-yl]propanoic acid?

The IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-(2H-tetrazol-5-ylmethyl)indol-3-yl]propanoic acid (CID 130476411) is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-(2H-tetrazol-5-ylmethyl)indol-3-yl]propanoic acid.

What is the SMILES notation for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-(2H-tetrazol-5-ylmethyl)indol-3-yl]propanoic acid?

The canonical SMILES for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-(2H-tetrazol-5-ylmethyl)indol-3-yl]propanoic acid is O=C(NC(Cc1cn(Cc2nn[nH]n2)c2ccccc12)C(=O)O)OCC1c2ccccc2-c2ccccc21.

What is the InChIKey of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-(2H-tetrazol-5-ylmethyl)indol-3-yl]propanoic acid?

The InChIKey is YUJUDCUPSNDTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O4/c35-27(36)24(13-17-14-34(15-26-30-32-33-31-26)25-12-6-5-7-18(17)25)29-28(37)38-16-23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23/h1-12,14,23-24H,13,15-16H2,(H,29,37)(H,35,36)(H,30,31,32,33).

What are the key properties of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-(2H-tetrazol-5-ylmethyl)indol-3-yl]propanoic acid?

2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-(2H-tetrazol-5-ylmethyl)indol-3-yl]propanoic acid has a molecular weight of 508.54 g/mol, XLogP of 3.74, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-(2H-tetrazol-5-ylmethyl)indol-3-yl]propanoic acid is sourced from PubChem (CID 130476411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).