5-(benzhydrylamino)-4-(1H-indole-3-carbonylamino)-5-oxopentanoic acid

C27H25N3O4 — CID 67946126

IUPAC5-(benzhydrylamino)-4-(1H-indole-3-carbonylamino)-5-oxopentanoic acid
SMILESO=C(O)CCC(NC(=O)c1c[nH]c2ccccc12)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H25N3O4/c31-24(32)16-15-23(29-26(33)21-17-28-22-14-8-7-13-20(21)22)27(34)30-25(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,17,23,25,28H,15-16H2,(H,29,33)(H,30,34)(H,31,32)
InChIKeyIBTSEEUYBAXPBX-UHFFFAOYSA-N
MW455.51 g/mol
LogP4.04
Rot. Bonds9

About 5-(benzhydrylamino)-4-(1H-indole-3-carbonylamino)-5-oxopentanoic acid

5-(benzhydrylamino)-4-(1H-indole-3-carbonylamino)-5-oxopentanoic acid (PubChem CID 67946126) has the molecular formula C27H25N3O4 and a molecular weight of 455.51 g/mol. Its IUPAC name is 5-(benzhydrylamino)-4-(1H-indole-3-carbonylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(benzhydrylamino)-4-(1H-indole-3-carbonylamino)-5-oxopentanoic acid
PubChem CID67946126
Molecular FormulaC27H25N3O4
Molecular Weight455.51 g/mol
Exact Mass455.18
IUPAC Name5-(benzhydrylamino)-4-(1H-indole-3-carbonylamino)-5-oxopentanoic acid
SMILESO=C(O)CCC(NC(=O)c1c[nH]c2ccccc12)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H25N3O4/c31-24(32)16-15-23(29-26(33)21-17-28-22-14-8-7-13-20(21)22)27(34)30-25(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,17,23,25,28H,15-16H2,(H,29,33)(H,30,34)(H,31,32)
InChIKeyIBTSEEUYBAXPBX-UHFFFAOYSA-N
XLogP4.04
TPSA111.29 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 54.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 5-(benzhydrylamino)-4-(1H-indole-3-carbonylamino)-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxy-1-phenylethyl)-1H-indole-3-carboxamide
CID 63182576
4-amino-2-(1H-indole-3-carbonylamino)-4-oxobutanoic acid
CID 24702715
N-(4-methylpentan-2-yl)-1H-indole-3-carboxamide
CID 43582090
N-butan-2-yl-1H-indole-3-carboxamide
CID 43399203
4-amino-5-[[3-carboxy-1-[[4-carboxy-1-[[1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 18263767
(4S)-4-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-5-oxopentanoic acid
CID 145458355
N-(1,2,2,2-tetrachloroethyl)-1H-indole-3-carboxamide
CID 169027247
4-[(2-amino-3-hydroxybutanoyl)amino]-5-[[1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoic acid
CID 18224286
(2S)-2-(1H-indole-3-carbonylamino)-3-methylpentanoic acid
CID 61174653
(4Z)-4-(1H-indole-3-carbonylhydrazinylidene)-4-phenylbutanoic acid
CID 5342175
ethane;4-[[2-(1H-indol-3-yl)acetyl]amino]-5-oxohexanoic acid
CID 143041569
2-[[2-[[2-[(2-amino-4-methylsulfanylbutanoyl)amino]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]pentanedioic acid
CID 18312582

Frequently Asked Questions

What is the IUPAC name of 5-(benzhydrylamino)-4-(1H-indole-3-carbonylamino)-5-oxopentanoic acid?
The IUPAC name of 5-(benzhydrylamino)-4-(1H-indole-3-carbonylamino)-5-oxopentanoic acid (CID 67946126) is 5-(benzhydrylamino)-4-(1H-indole-3-carbonylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(benzhydrylamino)-4-(1H-indole-3-carbonylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-(benzhydrylamino)-4-(1H-indole-3-carbonylamino)-5-oxopentanoic acid is O=C(O)CCC(NC(=O)c1c[nH]c2ccccc12)C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-(benzhydrylamino)-4-(1H-indole-3-carbonylamino)-5-oxopentanoic acid?
The InChIKey is IBTSEEUYBAXPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4/c31-24(32)16-15-23(29-26(33)21-17-28-22-14-8-7-13-20(21)22)27(34)30-25(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,17,23,25,28H,15-16H2,(H,29,33)(H,30,34)(H,31,32).
What are the key properties of 5-(benzhydrylamino)-4-(1H-indole-3-carbonylamino)-5-oxopentanoic acid?
5-(benzhydrylamino)-4-(1H-indole-3-carbonylamino)-5-oxopentanoic acid has a molecular weight of 455.51 g/mol, XLogP of 4.04, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzhydrylamino)-4-(1H-indole-3-carbonylamino)-5-oxopentanoic acid is sourced from PubChem (CID 67946126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).