2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-(1H-indol-2-yl)propanoic acid

C23H19N3O5 — CID 4527842

IUPAC2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-(1H-indol-2-yl)propanoic acid
SMILESO=C(Nc1ccccc1C(=O)NC(Cc1cc2ccccc2[nH]1)C(=O)O)c1ccco1
InChIInChI=1S/C23H19N3O5/c27-21(16-7-2-4-9-18(16)25-22(28)20-10-5-11-31-20)26-19(23(29)30)13-15-12-14-6-1-3-8-17(14)24-15/h1-12,19,24H,13H2,(H,25,28)(H,26,27)(H,29,30)
InChIKeyPHUDFJGAYHVUQF-UHFFFAOYSA-N
MW417.42 g/mol
LogP3.44
Rot. Bonds7

About 2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-(1H-indol-2-yl)propanoic acid

2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-(1H-indol-2-yl)propanoic acid (PubChem CID 4527842) has the molecular formula C23H19N3O5 and a molecular weight of 417.42 g/mol. Its IUPAC name is 2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-(1H-indol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-(1H-indol-2-yl)propanoic acid
PubChem CID4527842
Molecular FormulaC23H19N3O5
Molecular Weight417.42 g/mol
Exact Mass417.13
IUPAC Name2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-(1H-indol-2-yl)propanoic acid
SMILESO=C(Nc1ccccc1C(=O)NC(Cc1cc2ccccc2[nH]1)C(=O)O)c1ccco1
InChIInChI=1S/C23H19N3O5/c27-21(16-7-2-4-9-18(16)25-22(28)20-10-5-11-31-20)26-19(23(29)30)13-15-12-14-6-1-3-8-17(14)24-15/h1-12,19,24H,13H2,(H,25,28)(H,26,27)(H,29,30)
InChIKeyPHUDFJGAYHVUQF-UHFFFAOYSA-N
XLogP3.44
TPSA124.43 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 53.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-(1H-indol-2-yl)propanoic acid?
The IUPAC name of 2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-(1H-indol-2-yl)propanoic acid (CID 4527842) is 2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-(1H-indol-2-yl)propanoic acid.
What is the SMILES notation for 2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-(1H-indol-2-yl)propanoic acid?
The canonical SMILES for 2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-(1H-indol-2-yl)propanoic acid is O=C(Nc1ccccc1C(=O)NC(Cc1cc2ccccc2[nH]1)C(=O)O)c1ccco1.
What is the InChIKey of 2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-(1H-indol-2-yl)propanoic acid?
The InChIKey is PHUDFJGAYHVUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O5/c27-21(16-7-2-4-9-18(16)25-22(28)20-10-5-11-31-20)26-19(23(29)30)13-15-12-14-6-1-3-8-17(14)24-15/h1-12,19,24H,13H2,(H,25,28)(H,26,27)(H,29,30).
What are the key properties of 2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-(1H-indol-2-yl)propanoic acid?
2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-(1H-indol-2-yl)propanoic acid has a molecular weight of 417.42 g/mol, XLogP of 3.44, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-(1H-indol-2-yl)propanoic acid is sourced from PubChem (CID 4527842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).