2-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]amino]acetic acid

C15H18N2O4 — CID 82100949

IUPAC2-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]amino]acetic acid
SMILESCC(=O)N1CCc2cc(C(=O)C(C)NCC(=O)O)ccc21
InChIInChI=1S/C15H18N2O4/c1-9(16-8-14(19)20)15(21)12-3-4-13-11(7-12)5-6-17(13)10(2)18/h3-4,7,9,16H,5-6,8H2,1-2H3,(H,19,20)
InChIKeySZCPXAJDZRMJSJ-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.84
Rot. Bonds5

About 2-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]amino]acetic acid

2-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]amino]acetic acid (PubChem CID 82100949) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]amino]acetic acid
PubChem CID82100949
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]amino]acetic acid
SMILESCC(=O)N1CCc2cc(C(=O)C(C)NCC(=O)O)ccc21
InChIInChI=1S/C15H18N2O4/c1-9(16-8-14(19)20)15(21)12-3-4-13-11(7-12)5-6-17(13)10(2)18/h3-4,7,9,16H,5-6,8H2,1-2H3,(H,19,20)
InChIKeySZCPXAJDZRMJSJ-UHFFFAOYSA-N
XLogP0.84
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]amino]acetic acid with MolForge

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Related Compounds

1-acetyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 30886490
(2R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(5-chloro-2,4-dimethoxyanilino)propan-1-one
CID 35825374
1-acetyl-N-[(2R)-1-(4-phenylphenyl)propan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 51959933
1-[2-(butan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157597
[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] cyclobutanecarboxylate
CID 46644479
methyl 4-(1-acetyl-2,3-dihydroindol-5-yl)-4-oxobutanoate
CID 82347038
1-acetyl-N-ethoxy-2,3-dihydroindole-5-carboxamide
CID 43048030
[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 42922170
3-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120541330
1-acetyl-N-(1-amino-4-methylpentan-2-yl)-2,3-dihydroindole-5-carboxamide
CID 119260893
[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 2-benzamido-3-methylbutanoate
CID 42922160
1-[5-(2-methylbutylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684598

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]amino]acetic acid?
The IUPAC name of 2-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]amino]acetic acid (CID 82100949) is 2-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]amino]acetic acid is CC(=O)N1CCc2cc(C(=O)C(C)NCC(=O)O)ccc21.
What is the InChIKey of 2-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]amino]acetic acid?
The InChIKey is SZCPXAJDZRMJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-9(16-8-14(19)20)15(21)12-3-4-13-11(7-12)5-6-17(13)10(2)18/h3-4,7,9,16H,5-6,8H2,1-2H3,(H,19,20).
What are the key properties of 2-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]amino]acetic acid?
2-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]amino]acetic acid has a molecular weight of 290.32 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]amino]acetic acid is sourced from PubChem (CID 82100949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).