3-(1H-indol-3-yl)-2-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]propanoic acid

C22H22N2O4 — CID 84569182

IUPAC3-(1H-indol-3-yl)-2-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]propanoic acid
SMILESCOc1ccc(C2CC2C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)cc1
InChIInChI=1S/C22H22N2O4/c1-28-15-8-6-13(7-9-15)17-11-18(17)21(25)24-20(22(26)27)10-14-12-23-19-5-3-2-4-16(14)19/h2-9,12,17-18,20,23H,10-11H2,1H3,(H,24,25)(H,26,27)
InChIKeyBPIAEMRDIFJKAJ-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.09
Rot. Bonds7

About 3-(1H-indol-3-yl)-2-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]propanoic acid

3-(1H-indol-3-yl)-2-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]propanoic acid (PubChem CID 84569182) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-2-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-2-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]propanoic acid
PubChem CID84569182
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name3-(1H-indol-3-yl)-2-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]propanoic acid
SMILESCOc1ccc(C2CC2C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)cc1
InChIInChI=1S/C22H22N2O4/c1-28-15-8-6-13(7-9-15)17-11-18(17)21(25)24-20(22(26)27)10-14-12-23-19-5-3-2-4-16(14)19/h2-9,12,17-18,20,23H,10-11H2,1H3,(H,24,25)(H,26,27)
InChIKeyBPIAEMRDIFJKAJ-UHFFFAOYSA-N
XLogP3.09
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(1H-indol-3-yl)-2-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]propanoic 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

(2S)-2-[[(1S,2R)-2-ethoxycyclopropanecarbonyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 124683022
3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid
CID 5144045
(2S)-3-(1H-indol-3-yl)-2-[(4-methoxybenzoyl)carbamothioylamino]propanoic acid
CID 139069173
methyl (2R)-2-[[2-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]-3-(1H-indol-3-yl)propanoate
CID 154832535
3-(1H-indol-3-yl)-2-[(2-methoxybenzoyl)amino]propanoic acid
CID 6611948
3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoic acid
CID 582733
3-(1H-indol-3-yl)-2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoic acid;hydrate
CID 70535842
(2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxyamino]propanoic acid
CID 129192457
methyl (2R)-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)methylamino]propanoate
CID 53306565
3-(1H-indol-3-yl)-2-(thiane-4-carbonylamino)propanoic acid
CID 120519001
(2S)-3-(1H-indol-3-yl)-2-[(2-iodoacetyl)amino]propanoic acid
CID 91089934
3-(5-bromo-1H-indol-3-yl)-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid
CID 119257910

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-2-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]propanoic acid?
The IUPAC name of 3-(1H-indol-3-yl)-2-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]propanoic acid (CID 84569182) is 3-(1H-indol-3-yl)-2-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]propanoic acid.
What is the SMILES notation for 3-(1H-indol-3-yl)-2-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]propanoic acid?
The canonical SMILES for 3-(1H-indol-3-yl)-2-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]propanoic acid is COc1ccc(C2CC2C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)cc1.
What is the InChIKey of 3-(1H-indol-3-yl)-2-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]propanoic acid?
The InChIKey is BPIAEMRDIFJKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-28-15-8-6-13(7-9-15)17-11-18(17)21(25)24-20(22(26)27)10-14-12-23-19-5-3-2-4-16(14)19/h2-9,12,17-18,20,23H,10-11H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 3-(1H-indol-3-yl)-2-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]propanoic acid?
3-(1H-indol-3-yl)-2-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]propanoic acid has a molecular weight of 378.43 g/mol, XLogP of 3.09, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-2-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]propanoic acid is sourced from PubChem (CID 84569182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).