3-phenyl-2-[[2-(1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carbonylamino)benzoyl]amino]propanoic acid

C24H23N3O4 — CID 11362067

IUPAC3-phenyl-2-[[2-(1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carbonylamino)benzoyl]amino]propanoic acid
SMILESO=C(Nc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)O)c1cc2c([nH]1)CCC2
InChIInChI=1S/C24H23N3O4/c28-22(27-21(24(30)31)13-15-7-2-1-3-8-15)17-10-4-5-11-19(17)26-23(29)20-14-16-9-6-12-18(16)25-20/h1-5,7-8,10-11,14,21,25H,6,9,12-13H2,(H,26,29)(H,27,28)(H,30,31)
InChIKeyGINFWWRKFBLMEU-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.18
Rot. Bonds7

About 3-phenyl-2-[[2-(1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carbonylamino)benzoyl]amino]propanoic acid

3-phenyl-2-[[2-(1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carbonylamino)benzoyl]amino]propanoic acid (PubChem CID 11362067) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 3-phenyl-2-[[2-(1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carbonylamino)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-phenyl-2-[[2-(1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carbonylamino)benzoyl]amino]propanoic acid
PubChem CID11362067
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name3-phenyl-2-[[2-(1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carbonylamino)benzoyl]amino]propanoic acid
SMILESO=C(Nc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)O)c1cc2c([nH]1)CCC2
InChIInChI=1S/C24H23N3O4/c28-22(27-21(24(30)31)13-15-7-2-1-3-8-15)17-10-4-5-11-19(17)26-23(29)20-14-16-9-6-12-18(16)25-20/h1-5,7-8,10-11,14,21,25H,6,9,12-13H2,(H,26,29)(H,27,28)(H,30,31)
InChIKeyGINFWWRKFBLMEU-UHFFFAOYSA-N
XLogP3.18
TPSA111.29 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 3-phenyl-2-[[2-(1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carbonylamino)benzoyl]amino]propanoic acid with MolForge

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Related Compounds

(2R)-2-[(2-benzamidobenzoyl)amino]-3-phenylpropanoic acid
CID 1366278
2-[[2-[(5-methyl-1H-indole-2-carbonyl)amino]benzoyl]amino]-3-phenylpropanoic acid
CID 45482486
3-phenyl-2-[[2-[[2-[(2-phenylacetyl)amino]benzoyl]amino]benzoyl]amino]propanoic acid
CID 11827463
2-benzamido-N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 1149397
2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-(1H-indol-2-yl)propanoic acid
CID 4527842
ethyl 2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-3-phenylpropanoate
CID 44591981
2-[[(1R)-1-carboxy-2-phenylethyl]carbamoyl]benzoic acid
CID 149148944
(2R)-2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)-3-phenylpropanoic acid
CID 119367305
ethyl 2-[[2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]benzoyl]amino]-3-phenylpropanoate
CID 101132825
N-[2-(1-phenylpropan-2-ylcarbamoyl)phenyl]-1H-indole-2-carboxamide
CID 44592009
(2S)-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-3-phenylpropanoic acid
CID 29033778
2-benzamido-N-[(2S)-1-(2-bromoanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 2173066

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[[2-(1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carbonylamino)benzoyl]amino]propanoic acid?
The IUPAC name of 3-phenyl-2-[[2-(1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carbonylamino)benzoyl]amino]propanoic acid (CID 11362067) is 3-phenyl-2-[[2-(1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carbonylamino)benzoyl]amino]propanoic acid.
What is the SMILES notation for 3-phenyl-2-[[2-(1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carbonylamino)benzoyl]amino]propanoic acid?
The canonical SMILES for 3-phenyl-2-[[2-(1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carbonylamino)benzoyl]amino]propanoic acid is O=C(Nc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)O)c1cc2c([nH]1)CCC2.
What is the InChIKey of 3-phenyl-2-[[2-(1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carbonylamino)benzoyl]amino]propanoic acid?
The InChIKey is GINFWWRKFBLMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c28-22(27-21(24(30)31)13-15-7-2-1-3-8-15)17-10-4-5-11-19(17)26-23(29)20-14-16-9-6-12-18(16)25-20/h1-5,7-8,10-11,14,21,25H,6,9,12-13H2,(H,26,29)(H,27,28)(H,30,31).
What are the key properties of 3-phenyl-2-[[2-(1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carbonylamino)benzoyl]amino]propanoic acid?
3-phenyl-2-[[2-(1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carbonylamino)benzoyl]amino]propanoic acid has a molecular weight of 417.47 g/mol, XLogP of 3.18, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[[2-(1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carbonylamino)benzoyl]amino]propanoic acid is sourced from PubChem (CID 11362067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).