5-(2-aminoethyl)-1-(3-hydroxypropanoyl)-3H-indol-2-one

C13H16N2O3 — CID 115139297

IUPAC5-(2-aminoethyl)-1-(3-hydroxypropanoyl)-3H-indol-2-one
SMILESNCCc1ccc2c(c1)CC(=O)N2C(=O)CCO
InChIInChI=1S/C13H16N2O3/c14-5-3-9-1-2-11-10(7-9)8-13(18)15(11)12(17)4-6-16/h1-2,7,16H,3-6,8,14H2
InChIKeyUWXJFUZWRXNRAL-UHFFFAOYSA-N
MW248.28 g/mol
LogP-0.01
Rot. Bonds4

About 5-(2-aminoethyl)-1-(3-hydroxypropanoyl)-3H-indol-2-one

5-(2-aminoethyl)-1-(3-hydroxypropanoyl)-3H-indol-2-one (PubChem CID 115139297) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 5-(2-aminoethyl)-1-(3-hydroxypropanoyl)-3H-indol-2-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-1-(3-hydroxypropanoyl)-3H-indol-2-one
PubChem CID115139297
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name5-(2-aminoethyl)-1-(3-hydroxypropanoyl)-3H-indol-2-one
SMILESNCCc1ccc2c(c1)CC(=O)N2C(=O)CCO
InChIInChI=1S/C13H16N2O3/c14-5-3-9-1-2-11-10(7-9)8-13(18)15(11)12(17)4-6-16/h1-2,7,16H,3-6,8,14H2
InChIKeyUWXJFUZWRXNRAL-UHFFFAOYSA-N
XLogP-0.01
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-aminoethyl)-1-(3-aminopropanoyl)-3H-indol-2-one
CID 115152987
5-(2-aminoethyl)-2-oxo-3H-indole-1-carbothioic S-acid
CID 115170266
1-(3-aminobutanoyl)-5-(2-aminoethyl)-3H-indol-2-one
CID 115154334
5-(2-aminoethyl)-1-(3-hydroxypropyl)-3H-indol-2-one
CID 115217029
5-(2-aminoethyl)-1-(aminomethyl)-3H-indol-2-one
CID 115226042
5-(aminomethyl)-1-[4-(methylamino)butanoyl]-3H-indol-2-one
CID 115155708
5-(2-aminoethyl)-1-ethyl-3H-indol-2-one
CID 82190443
5-(aminomethyl)-1-(4-amino-3-methylbutanoyl)-3H-indol-2-one
CID 115156370
5-(2-aminoethyl)-1-(2,2,2-trifluoroethyl)-3H-indol-2-one
CID 115258033
1-(4-aminobutanoyl)-5-(methylamino)-3H-indol-2-one
CID 115155191
5-(aminomethyl)-1-[2-(aminomethyl)butanoyl]-3H-indol-2-one
CID 115186974
methyl 3-(5-amino-2-oxo-3H-indol-1-yl)-3-oxopropanoate
CID 115174118

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-1-(3-hydroxypropanoyl)-3H-indol-2-one?
The IUPAC name of 5-(2-aminoethyl)-1-(3-hydroxypropanoyl)-3H-indol-2-one (CID 115139297) is 5-(2-aminoethyl)-1-(3-hydroxypropanoyl)-3H-indol-2-one.
What is the SMILES notation for 5-(2-aminoethyl)-1-(3-hydroxypropanoyl)-3H-indol-2-one?
The canonical SMILES for 5-(2-aminoethyl)-1-(3-hydroxypropanoyl)-3H-indol-2-one is NCCc1ccc2c(c1)CC(=O)N2C(=O)CCO.
What is the InChIKey of 5-(2-aminoethyl)-1-(3-hydroxypropanoyl)-3H-indol-2-one?
The InChIKey is UWXJFUZWRXNRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c14-5-3-9-1-2-11-10(7-9)8-13(18)15(11)12(17)4-6-16/h1-2,7,16H,3-6,8,14H2.
What are the key properties of 5-(2-aminoethyl)-1-(3-hydroxypropanoyl)-3H-indol-2-one?
5-(2-aminoethyl)-1-(3-hydroxypropanoyl)-3H-indol-2-one has a molecular weight of 248.28 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-1-(3-hydroxypropanoyl)-3H-indol-2-one is sourced from PubChem (CID 115139297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).