2-[5-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]indol-1-yl]acetic acid

C23H22N2O4 — CID 120687453

IUPAC2-[5-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]indol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc2cc(NC(=O)CCC(=O)c3ccc4c(c3)CCC4)ccc21
InChIInChI=1S/C23H22N2O4/c26-21(18-5-4-15-2-1-3-16(15)12-18)8-9-22(27)24-19-6-7-20-17(13-19)10-11-25(20)14-23(28)29/h4-7,10-13H,1-3,8-9,14H2,(H,24,27)(H,28,29)
InChIKeyZHUKSISUCFPZJU-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.82
Rot. Bonds7

About 2-[5-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]indol-1-yl]acetic acid

2-[5-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]indol-1-yl]acetic acid (PubChem CID 120687453) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-[5-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]indol-1-yl]acetic acid
PubChem CID120687453
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name2-[5-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]indol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc2cc(NC(=O)CCC(=O)c3ccc4c(c3)CCC4)ccc21
InChIInChI=1S/C23H22N2O4/c26-21(18-5-4-15-2-1-3-16(15)12-18)8-9-22(27)24-19-6-7-20-17(13-19)10-11-25(20)14-23(28)29/h4-7,10-13H,1-3,8-9,14H2,(H,24,27)(H,28,29)
InChIKeyZHUKSISUCFPZJU-UHFFFAOYSA-N
XLogP3.82
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[5-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]indol-1-yl]acetic acid with MolForge

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Related Compounds

2-[5-[[4-(2-acetamidoethylamino)-4-oxobutanoyl]amino]indol-1-yl]acetic acid
CID 119235492
2-[5-[3-(oxolan-2-yl)propanoylamino]indol-1-yl]acetic acid
CID 119235479
4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]benzamide
CID 9441784
2-[5-[[2-(cyclohexen-1-yl)acetyl]amino]indol-1-yl]acetic acid
CID 119235511
2-[5-(5-methoxypentanoylamino)indol-1-yl]acetic acid
CID 119235428
4-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 55532448
2-[5-[(2-cyclopentyloxyacetyl)amino]indol-1-yl]acetic acid
CID 119235421
N-(6-amino-3-pyridinyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride
CID 119515209
N-(4-methylsulfanylphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9179823
2-[2-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]phenyl]acetic acid
CID 119353174
4-(2,3-dihydro-1H-inden-5-yl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-4-oxobutanamide
CID 55585146
4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 43042227

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]indol-1-yl]acetic acid?
The IUPAC name of 2-[5-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]indol-1-yl]acetic acid (CID 120687453) is 2-[5-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]indol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]indol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]indol-1-yl]acetic acid is O=C(O)Cn1ccc2cc(NC(=O)CCC(=O)c3ccc4c(c3)CCC4)ccc21.
What is the InChIKey of 2-[5-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]indol-1-yl]acetic acid?
The InChIKey is ZHUKSISUCFPZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c26-21(18-5-4-15-2-1-3-16(15)12-18)8-9-22(27)24-19-6-7-20-17(13-19)10-11-25(20)14-23(28)29/h4-7,10-13H,1-3,8-9,14H2,(H,24,27)(H,28,29).
What are the key properties of 2-[5-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]indol-1-yl]acetic acid?
2-[5-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]indol-1-yl]acetic acid has a molecular weight of 390.44 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]indol-1-yl]acetic acid is sourced from PubChem (CID 120687453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).