4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)-3-(propylamino)butanoic acid

C15H20N2O4 — CID 82349920

IUPAC4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)-3-(propylamino)butanoic acid
SMILESCCCNC(CC(=O)O)C(O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C15H20N2O4/c1-2-5-16-12(8-14(19)20)15(21)9-3-4-11-10(6-9)7-13(18)17-11/h3-4,6,12,15-16,21H,2,5,7-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyHNGFMQKXHYHBCB-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.06
Rot. Bonds7

About 4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)-3-(propylamino)butanoic acid

4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)-3-(propylamino)butanoic acid (PubChem CID 82349920) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)-3-(propylamino)butanoic acid.

Molecular Properties

Compound Name4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)-3-(propylamino)butanoic acid
PubChem CID82349920
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)-3-(propylamino)butanoic acid
SMILESCCCNC(CC(=O)O)C(O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C15H20N2O4/c1-2-5-16-12(8-14(19)20)15(21)9-3-4-11-10(6-9)7-13(18)17-11/h3-4,6,12,15-16,21H,2,5,7-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyHNGFMQKXHYHBCB-UHFFFAOYSA-N
XLogP1.06
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropylamino)-4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid
CID 82349925
3-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid
CID 82116150
5-[2-(ethylamino)-1-hydroxypropyl]-1,3-dihydroindol-2-one
CID 82290690
4-(4-fluorophenyl)-4-hydroxy-3-(propylamino)butanoic acid
CID 82347951
methyl 3,4-dihydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)butanoate
CID 171895821
5-[3,3-dimethyl-1-(propylamino)butyl]-1,3-dihydroindol-2-one
CID 43496647
5-(1-hydroxy-2-phenylbutyl)-1,3-dihydroindol-2-one
CID 61088892
methyl 2,3-dihydroxy-3-(2-oxo-1,3-dihydroindol-5-yl)propanoate
CID 171864289
N-[2,3-dihydroxy-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]acetamide
CID 170830289
5-[(5-methylfuran-2-yl)-(propylamino)methyl]-1,3-dihydroindol-2-one
CID 43496622
3-(butylamino)-4-(3,4-dimethylphenyl)-4-hydroxybutanoic acid
CID 82347592
(2S)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438818

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)-3-(propylamino)butanoic acid?
The IUPAC name of 4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)-3-(propylamino)butanoic acid (CID 82349920) is 4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)-3-(propylamino)butanoic acid.
What is the SMILES notation for 4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)-3-(propylamino)butanoic acid?
The canonical SMILES for 4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)-3-(propylamino)butanoic acid is CCCNC(CC(=O)O)C(O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)-3-(propylamino)butanoic acid?
The InChIKey is HNGFMQKXHYHBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-2-5-16-12(8-14(19)20)15(21)9-3-4-11-10(6-9)7-13(18)17-11/h3-4,6,12,15-16,21H,2,5,7-8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)-3-(propylamino)butanoic acid?
4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)-3-(propylamino)butanoic acid has a molecular weight of 292.33 g/mol, XLogP of 1.06, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)-3-(propylamino)butanoic acid is sourced from PubChem (CID 82349920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).