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

C15H18N2O4 — CID 82349925

IUPAC3-(cyclopropylamino)-4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid
SMILESO=C(O)CC(NC1CC1)C(O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C15H18N2O4/c18-13-6-9-5-8(1-4-11(9)17-13)15(21)12(7-14(19)20)16-10-2-3-10/h1,4-5,10,12,15-16,21H,2-3,6-7H2,(H,17,18)(H,19,20)
InChIKeyWOOAMYGBFCJWRG-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.81
Rot. Bonds6

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

3-(cyclopropylamino)-4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid (PubChem CID 82349925) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-(cyclopropylamino)-4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid.

Molecular Properties

Compound Name3-(cyclopropylamino)-4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid
PubChem CID82349925
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name3-(cyclopropylamino)-4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid
SMILESO=C(O)CC(NC1CC1)C(O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C15H18N2O4/c18-13-6-9-5-8(1-4-11(9)17-13)15(21)12(7-14(19)20)16-10-2-3-10/h1,4-5,10,12,15-16,21H,2-3,6-7H2,(H,17,18)(H,19,20)
InChIKeyWOOAMYGBFCJWRG-UHFFFAOYSA-N
XLogP0.81
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)-3-(propylamino)butanoic acid
CID 82349920
3-(cyclopropylamino)-4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxybutanoic acid
CID 82348854
3-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid
CID 82116150
methyl 3,4-dihydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)butanoate
CID 171895821
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-[2-(ethylamino)-1-hydroxypropyl]-1,3-dihydroindol-2-one
CID 82290690
2-[2-hydroxy-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetic acid
CID 61328207
5-(1-hydroxy-2-phenylbutyl)-1,3-dihydroindol-2-one
CID 61088892
3-cyclopropyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 102710846
5-[cyclobutyl(methylamino)methyl]-1,3-dihydroindol-2-one
CID 43484843
(2R)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438819

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid?
The IUPAC name of 3-(cyclopropylamino)-4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid (CID 82349925) is 3-(cyclopropylamino)-4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid.
What is the SMILES notation for 3-(cyclopropylamino)-4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid?
The canonical SMILES for 3-(cyclopropylamino)-4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid is O=C(O)CC(NC1CC1)C(O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 3-(cyclopropylamino)-4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid?
The InChIKey is WOOAMYGBFCJWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-13-6-9-5-8(1-4-11(9)17-13)15(21)12(7-14(19)20)16-10-2-3-10/h1,4-5,10,12,15-16,21H,2-3,6-7H2,(H,17,18)(H,19,20).
What are the key properties of 3-(cyclopropylamino)-4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid?
3-(cyclopropylamino)-4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid has a molecular weight of 290.32 g/mol, XLogP of 0.81, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid is sourced from PubChem (CID 82349925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).