4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate

C14H15N2O3- — CID 7019224

IUPAC4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate
SMILESO=C([O-])CCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C14H16N2O3/c17-13(5-6-14(18)19)15-8-7-10-9-16-12-4-2-1-3-11(10)12/h1-4,9,16H,5-8H2,(H,15,17)(H,18,19)/p-1
InChIKeyFMXUSNAWMLGDCZ-UHFFFAOYSA-M
MW259.28 g/mol
LogP0.36
Rot. Bonds6

About 4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate

4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate (PubChem CID 7019224) has the molecular formula C14H15N2O3- and a molecular weight of 259.28 g/mol. Its IUPAC name is 4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate.

Molecular Properties

Compound Name4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate
PubChem CID7019224
Molecular FormulaC14H15N2O3-
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate
SMILESO=C([O-])CCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C14H16N2O3/c17-13(5-6-14(18)19)15-8-7-10-9-16-12-4-2-1-3-11(10)12/h1-4,9,16H,5-8H2,(H,15,17)(H,18,19)/p-1
InChIKeyFMXUSNAWMLGDCZ-UHFFFAOYSA-M
XLogP0.36
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 588711
2-[3-(1H-indol-3-yl)propanoylamino]acetate
CID 7677841
6-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 61259839
7-amino-N-[2-(1H-indol-3-yl)ethyl]heptanamide;hydrochloride
CID 75493600
3-(4-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 28712929
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 16574540
N-[2-(1H-indol-3-yl)ethyl]-6-pyrrol-1-ylhexanamide
CID 127253981
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide
CID 119320787
N-[2-(1H-indol-3-yl)ethyl]-2-naphthalen-1-ylacetamide
CID 20969018
3-(benzenesulfonamido)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 27644763

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate?
The IUPAC name of 4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate (CID 7019224) is 4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate.
What is the SMILES notation for 4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate?
The canonical SMILES for 4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate is O=C([O-])CCC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate?
The InChIKey is FMXUSNAWMLGDCZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H16N2O3/c17-13(5-6-14(18)19)15-8-7-10-9-16-12-4-2-1-3-11(10)12/h1-4,9,16H,5-8H2,(H,15,17)(H,18,19)/p-1.
What are the key properties of 4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate?
4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate has a molecular weight of 259.28 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate is sourced from PubChem (CID 7019224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).