1-anilino-3-indol-1-ylpropan-2-ol;oxalic acid

C19H20N2O5 — CID 2974811

IUPAC1-anilino-3-indol-1-ylpropan-2-ol;oxalic acid
SMILESO=C(O)C(=O)O.OC(CNc1ccccc1)Cn1ccc2ccccc21
InChIInChI=1S/C17H18N2O.C2H2O4/c20-16(12-18-15-7-2-1-3-8-15)13-19-11-10-14-6-4-5-9-17(14)19;3-1(4)2(5)6/h1-11,16,18,20H,12-13H2;(H,3,4)(H,5,6)
InChIKeyUAZBDMHDTJOXRW-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.27
Rot. Bonds5

About 1-anilino-3-indol-1-ylpropan-2-ol;oxalic acid

1-anilino-3-indol-1-ylpropan-2-ol;oxalic acid (PubChem CID 2974811) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 1-anilino-3-indol-1-ylpropan-2-ol;oxalic acid.

Molecular Properties

Compound Name1-anilino-3-indol-1-ylpropan-2-ol;oxalic acid
PubChem CID2974811
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name1-anilino-3-indol-1-ylpropan-2-ol;oxalic acid
SMILESO=C(O)C(=O)O.OC(CNc1ccccc1)Cn1ccc2ccccc21
InChIInChI=1S/C17H18N2O.C2H2O4/c20-16(12-18-15-7-2-1-3-8-15)13-19-11-10-14-6-4-5-9-17(14)19;3-1(4)2(5)6/h1-11,16,18,20H,12-13H2;(H,3,4)(H,5,6)
InChIKeyUAZBDMHDTJOXRW-UHFFFAOYSA-N
XLogP2.27
TPSA111.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2-hydroxy-3-indol-1-ylpropyl)amino]phenoxy]-2-oxoacetic acid
CID 154730221
1-amino-3-indol-1-ylpropan-2-ol
CID 66799372
(2R)-1-amino-3-indol-1-ylpropan-2-ol
CID 59762071
(2S,3S)-1,4-di(indol-1-yl)butane-2,3-diol
CID 131853579
1-anilino-3-(2,3-dimethylindol-1-yl)propan-2-ol;oxalic acid
CID 2897460
3-indol-1-yl-2-methylpropanamide
CID 63811423
sodium 3-indol-1-yl-2-(indol-1-ylmethyl)propanoate
CID 100988913
2-(3-anilino-2-hydroxypropyl)isoindole-1,3-dione
CID 45158358
3-(4-indol-1-ylanilino)propane-1,2-diol
CID 168596516
1-chloro-3-(4-indol-1-ylanilino)propan-2-ol
CID 168638329
(2S)-3-indol-1-yl-2-methylpropan-1-ol
CID 139469635
2-hydroxyethyl-(2-hydroxy-3-indol-1-ylpropyl)azanium
CID 4250136

Frequently Asked Questions

What is the IUPAC name of 1-anilino-3-indol-1-ylpropan-2-ol;oxalic acid?
The IUPAC name of 1-anilino-3-indol-1-ylpropan-2-ol;oxalic acid (CID 2974811) is 1-anilino-3-indol-1-ylpropan-2-ol;oxalic acid.
What is the SMILES notation for 1-anilino-3-indol-1-ylpropan-2-ol;oxalic acid?
The canonical SMILES for 1-anilino-3-indol-1-ylpropan-2-ol;oxalic acid is O=C(O)C(=O)O.OC(CNc1ccccc1)Cn1ccc2ccccc21.
What is the InChIKey of 1-anilino-3-indol-1-ylpropan-2-ol;oxalic acid?
The InChIKey is UAZBDMHDTJOXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O.C2H2O4/c20-16(12-18-15-7-2-1-3-8-15)13-19-11-10-14-6-4-5-9-17(14)19;3-1(4)2(5)6/h1-11,16,18,20H,12-13H2;(H,3,4)(H,5,6).
What are the key properties of 1-anilino-3-indol-1-ylpropan-2-ol;oxalic acid?
1-anilino-3-indol-1-ylpropan-2-ol;oxalic acid has a molecular weight of 356.38 g/mol, XLogP of 2.27, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-3-indol-1-ylpropan-2-ol;oxalic acid is sourced from PubChem (CID 2974811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).