2-[3-(2-amino-2-oxoethyl)-1-benzylindol-4-yl]oxyacetic acid

C19H18N2O4 — CID 10544972

IUPAC2-[3-(2-amino-2-oxoethyl)-1-benzylindol-4-yl]oxyacetic acid
SMILESNC(=O)Cc1cn(Cc2ccccc2)c2cccc(OCC(=O)O)c12
InChIInChI=1S/C19H18N2O4/c20-17(22)9-14-11-21(10-13-5-2-1-3-6-13)15-7-4-8-16(19(14)15)25-12-18(23)24/h1-8,11H,9-10,12H2,(H2,20,22)(H,23,24)
InChIKeyRDUHHFIVZOZSHO-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.18
Rot. Bonds7

About 2-[3-(2-amino-2-oxoethyl)-1-benzylindol-4-yl]oxyacetic acid

2-[3-(2-amino-2-oxoethyl)-1-benzylindol-4-yl]oxyacetic acid (PubChem CID 10544972) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-[3-(2-amino-2-oxoethyl)-1-benzylindol-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-(2-amino-2-oxoethyl)-1-benzylindol-4-yl]oxyacetic acid
PubChem CID10544972
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name2-[3-(2-amino-2-oxoethyl)-1-benzylindol-4-yl]oxyacetic acid
SMILESNC(=O)Cc1cn(Cc2ccccc2)c2cccc(OCC(=O)O)c12
InChIInChI=1S/C19H18N2O4/c20-17(22)9-14-11-21(10-13-5-2-1-3-6-13)15-7-4-8-16(19(14)15)25-12-18(23)24/h1-8,11H,9-10,12H2,(H2,20,22)(H,23,24)
InChIKeyRDUHHFIVZOZSHO-UHFFFAOYSA-N
XLogP2.18
TPSA94.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-amino-2-oxoethyl)-1-benzylindol-4-yl]oxyacetic acid?
The IUPAC name of 2-[3-(2-amino-2-oxoethyl)-1-benzylindol-4-yl]oxyacetic acid (CID 10544972) is 2-[3-(2-amino-2-oxoethyl)-1-benzylindol-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-(2-amino-2-oxoethyl)-1-benzylindol-4-yl]oxyacetic acid?
The canonical SMILES for 2-[3-(2-amino-2-oxoethyl)-1-benzylindol-4-yl]oxyacetic acid is NC(=O)Cc1cn(Cc2ccccc2)c2cccc(OCC(=O)O)c12.
What is the InChIKey of 2-[3-(2-amino-2-oxoethyl)-1-benzylindol-4-yl]oxyacetic acid?
The InChIKey is RDUHHFIVZOZSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c20-17(22)9-14-11-21(10-13-5-2-1-3-6-13)15-7-4-8-16(19(14)15)25-12-18(23)24/h1-8,11H,9-10,12H2,(H2,20,22)(H,23,24).
What are the key properties of 2-[3-(2-amino-2-oxoethyl)-1-benzylindol-4-yl]oxyacetic acid?
2-[3-(2-amino-2-oxoethyl)-1-benzylindol-4-yl]oxyacetic acid has a molecular weight of 338.36 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-amino-2-oxoethyl)-1-benzylindol-4-yl]oxyacetic acid is sourced from PubChem (CID 10544972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).