2-[[2-[[2-(1H-indol-2-yl)-1H-indol-3-yl]oxy]acetyl]amino]acetic acid

C20H17N3O4 — CID 102064345

IUPAC2-[[2-[[2-(1H-indol-2-yl)-1H-indol-3-yl]oxy]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)COc1c(-c2cc3ccccc3[nH]2)[nH]c2ccccc12
InChIInChI=1S/C20H17N3O4/c24-17(21-10-18(25)26)11-27-20-13-6-2-4-8-15(13)23-19(20)16-9-12-5-1-3-7-14(12)22-16/h1-9,22-23H,10-11H2,(H,21,24)(H,25,26)
InChIKeyPMPGZPLVYIXRSN-UHFFFAOYSA-N
MW363.37 g/mol
LogP2.90
Rot. Bonds6

About 2-[[2-[[2-(1H-indol-2-yl)-1H-indol-3-yl]oxy]acetyl]amino]acetic acid

2-[[2-[[2-(1H-indol-2-yl)-1H-indol-3-yl]oxy]acetyl]amino]acetic acid (PubChem CID 102064345) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is 2-[[2-[[2-(1H-indol-2-yl)-1H-indol-3-yl]oxy]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[2-(1H-indol-2-yl)-1H-indol-3-yl]oxy]acetyl]amino]acetic acid
PubChem CID102064345
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name2-[[2-[[2-(1H-indol-2-yl)-1H-indol-3-yl]oxy]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)COc1c(-c2cc3ccccc3[nH]2)[nH]c2ccccc12
InChIInChI=1S/C20H17N3O4/c24-17(21-10-18(25)26)11-27-20-13-6-2-4-8-15(13)23-19(20)16-9-12-5-1-3-7-14(12)22-16/h1-9,22-23H,10-11H2,(H,21,24)(H,25,26)
InChIKeyPMPGZPLVYIXRSN-UHFFFAOYSA-N
XLogP2.90
TPSA107.21 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[[2-(1H-indol-2-yl)-1H-indol-3-yl]oxy]acetyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
CID 66951790
2-[[2-(2-bromophenoxy)acetyl]amino]acetic acid
CID 19176585
2-[[2-(2-chlorophenoxy)acetyl]amino]acetic acid
CID 9170949
2-[5-(1H-indol-2-yl)pyrazin-2-yl]acetic acid
CID 82382099
2-(4-fluorophenoxy)-N-[4-(1H-indol-2-yl)phenyl]acetamide
CID 46334514
N-[(2-methyl-1H-indol-3-yl)methyl]-2-phenoxyacetamide
CID 110782317
2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
CID 108797411
2-(1H-indol-2-ylsulfonylamino)acetic acid
CID 22400906
2-(2,4-dichlorophenoxy)-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110324293
N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-2-phenoxyacetamide
CID 2156420
N-butyl-2-(9H-carbazol-2-yloxy)acetamide
CID 7714244
2-(9H-carbazol-2-yloxy)-N-phenylacetamide
CID 7714190

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(1H-indol-2-yl)-1H-indol-3-yl]oxy]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[2-(1H-indol-2-yl)-1H-indol-3-yl]oxy]acetyl]amino]acetic acid (CID 102064345) is 2-[[2-[[2-(1H-indol-2-yl)-1H-indol-3-yl]oxy]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[2-(1H-indol-2-yl)-1H-indol-3-yl]oxy]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[2-(1H-indol-2-yl)-1H-indol-3-yl]oxy]acetyl]amino]acetic acid is O=C(O)CNC(=O)COc1c(-c2cc3ccccc3[nH]2)[nH]c2ccccc12.
What is the InChIKey of 2-[[2-[[2-(1H-indol-2-yl)-1H-indol-3-yl]oxy]acetyl]amino]acetic acid?
The InChIKey is PMPGZPLVYIXRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c24-17(21-10-18(25)26)11-27-20-13-6-2-4-8-15(13)23-19(20)16-9-12-5-1-3-7-14(12)22-16/h1-9,22-23H,10-11H2,(H,21,24)(H,25,26).
What are the key properties of 2-[[2-[[2-(1H-indol-2-yl)-1H-indol-3-yl]oxy]acetyl]amino]acetic acid?
2-[[2-[[2-(1H-indol-2-yl)-1H-indol-3-yl]oxy]acetyl]amino]acetic acid has a molecular weight of 363.37 g/mol, XLogP of 2.90, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(1H-indol-2-yl)-1H-indol-3-yl]oxy]acetyl]amino]acetic acid is sourced from PubChem (CID 102064345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).