2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-4-methoxybutanoic acid

C15H20N2O4 — CID 120702039

IUPAC2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)CN1CCc2ccccc21)C(=O)O
InChIInChI=1S/C15H20N2O4/c1-21-9-7-12(15(19)20)16-14(18)10-17-8-6-11-4-2-3-5-13(11)17/h2-5,12H,6-10H2,1H3,(H,16,18)(H,19,20)
InChIKeyMJMGAHUDBZMGSQ-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.65
Rot. Bonds7

About 2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-4-methoxybutanoic acid

2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-4-methoxybutanoic acid (PubChem CID 120702039) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-4-methoxybutanoic acid
PubChem CID120702039
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)CN1CCc2ccccc21)C(=O)O
InChIInChI=1S/C15H20N2O4/c1-21-9-7-12(15(19)20)16-14(18)10-17-8-6-11-4-2-3-5-13(11)17/h2-5,12H,6-10H2,1H3,(H,16,18)(H,19,20)
InChIKeyMJMGAHUDBZMGSQ-UHFFFAOYSA-N
XLogP0.65
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]propanoic acid
CID 82041853
2-(2,3-dihydroindol-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8704361
2-(2,3-dihydroindol-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 54810775
2-(2,3-dihydroindol-1-yl)-N-phenylacetamide
CID 22199878
2-(2,3-dihydroindol-1-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 8704387
2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]acetic acid
CID 82041294
N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54810898
2-(2,3-dihydroindol-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 22199883
N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-2-methylphenyl]propanamide
CID 54810602
2-[(3-amino-3-phenylpropanoyl)amino]-4-methoxybutanoic acid
CID 62478473
2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 77033454
2-(2,3-dihydroindol-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 8704444

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-4-methoxybutanoic acid (CID 120702039) is 2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-4-methoxybutanoic acid is COCCC(NC(=O)CN1CCc2ccccc21)C(=O)O.
What is the InChIKey of 2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-4-methoxybutanoic acid?
The InChIKey is MJMGAHUDBZMGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-9-7-12(15(19)20)16-14(18)10-17-8-6-11-4-2-3-5-13(11)17/h2-5,12H,6-10H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-4-methoxybutanoic acid?
2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-4-methoxybutanoic acid has a molecular weight of 292.34 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-4-methoxybutanoic acid is sourced from PubChem (CID 120702039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).