4-(1-acetyl-2,3-dihydroindol-5-yl)-4-hydroxy-3-(methylamino)butanoic acid

C15H20N2O4 — CID 82348568

IUPAC4-(1-acetyl-2,3-dihydroindol-5-yl)-4-hydroxy-3-(methylamino)butanoic acid
SMILESCNC(CC(=O)O)C(O)c1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C15H20N2O4/c1-9(18)17-6-5-10-7-11(3-4-13(10)17)15(21)12(16-2)8-14(19)20/h3-4,7,12,15-16,21H,5-6,8H2,1-2H3,(H,19,20)
InChIKeyGZVIFGOGPKYORE-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.69
Rot. Bonds5

About 4-(1-acetyl-2,3-dihydroindol-5-yl)-4-hydroxy-3-(methylamino)butanoic acid

4-(1-acetyl-2,3-dihydroindol-5-yl)-4-hydroxy-3-(methylamino)butanoic acid (PubChem CID 82348568) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-(1-acetyl-2,3-dihydroindol-5-yl)-4-hydroxy-3-(methylamino)butanoic acid.

Molecular Properties

Compound Name4-(1-acetyl-2,3-dihydroindol-5-yl)-4-hydroxy-3-(methylamino)butanoic acid
PubChem CID82348568
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name4-(1-acetyl-2,3-dihydroindol-5-yl)-4-hydroxy-3-(methylamino)butanoic acid
SMILESCNC(CC(=O)O)C(O)c1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C15H20N2O4/c1-9(18)17-6-5-10-7-11(3-4-13(10)17)15(21)12(16-2)8-14(19)20/h3-4,7,12,15-16,21H,5-6,8H2,1-2H3,(H,19,20)
InChIKeyGZVIFGOGPKYORE-UHFFFAOYSA-N
XLogP0.69
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-acetyl-2,3-dihydroindol-5-yl)-3-(methylamino)butanoic acid
CID 82350735
N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-3,4-dihydroxybutyl]acetamide
CID 171883884
3-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 45342349
1-[5-(hydroxymethylsulfanyl)-2,3-dihydroindol-1-yl]ethanone
CID 117033391
4-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]-3-methylbutanoic acid
CID 110447520
4-(3,4-dimethoxyphenyl)-4-hydroxy-3-(methylamino)butanoic acid
CID 82348516
2-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]amino]acetic acid
CID 82100949
methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
CID 159834618
3-(1-ethyl-2,3-dihydroindol-5-yl)butanoic acid
CID 115114845
2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]butanoic acid
CID 115352545
1-[5-(2,3-dihydroxypropylamino)-2,3-dihydroindol-1-yl]ethanone
CID 168593573
1-acetyl-N-[1-(4-chlorophenyl)propyl]-2,3-dihydroindole-5-carboxamide
CID 55497593

Frequently Asked Questions

What is the IUPAC name of 4-(1-acetyl-2,3-dihydroindol-5-yl)-4-hydroxy-3-(methylamino)butanoic acid?
The IUPAC name of 4-(1-acetyl-2,3-dihydroindol-5-yl)-4-hydroxy-3-(methylamino)butanoic acid (CID 82348568) is 4-(1-acetyl-2,3-dihydroindol-5-yl)-4-hydroxy-3-(methylamino)butanoic acid.
What is the SMILES notation for 4-(1-acetyl-2,3-dihydroindol-5-yl)-4-hydroxy-3-(methylamino)butanoic acid?
The canonical SMILES for 4-(1-acetyl-2,3-dihydroindol-5-yl)-4-hydroxy-3-(methylamino)butanoic acid is CNC(CC(=O)O)C(O)c1ccc2c(c1)CCN2C(C)=O.
What is the InChIKey of 4-(1-acetyl-2,3-dihydroindol-5-yl)-4-hydroxy-3-(methylamino)butanoic acid?
The InChIKey is GZVIFGOGPKYORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-9(18)17-6-5-10-7-11(3-4-13(10)17)15(21)12(16-2)8-14(19)20/h3-4,7,12,15-16,21H,5-6,8H2,1-2H3,(H,19,20).
What are the key properties of 4-(1-acetyl-2,3-dihydroindol-5-yl)-4-hydroxy-3-(methylamino)butanoic acid?
4-(1-acetyl-2,3-dihydroindol-5-yl)-4-hydroxy-3-(methylamino)butanoic acid has a molecular weight of 292.34 g/mol, XLogP of 0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-acetyl-2,3-dihydroindol-5-yl)-4-hydroxy-3-(methylamino)butanoic acid is sourced from PubChem (CID 82348568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).