(2S)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylamino)propanal

C19H17N3O — CID 88877351

IUPAC(2S)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylamino)propanal
SMILESO=C[C@H](Cc1c[nH]c2ccccc12)Nc1c[nH]c2ccccc12
InChIInChI=1S/C19H17N3O/c23-12-14(9-13-10-20-17-7-3-1-5-15(13)17)22-19-11-21-18-8-4-2-6-16(18)19/h1-8,10-12,14,20-22H,9H2/t14-/m0/s1
InChIKeyNDURMFSKJAZTEN-AWEZNQCLSA-N
MW303.37 g/mol
LogP3.87
Rot. Bonds5

About (2S)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylamino)propanal

(2S)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylamino)propanal (PubChem CID 88877351) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is (2S)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylamino)propanal.

Molecular Properties

Compound Name(2S)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylamino)propanal
PubChem CID88877351
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name(2S)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylamino)propanal
SMILESO=C[C@H](Cc1c[nH]c2ccccc12)Nc1c[nH]c2ccccc12
InChIInChI=1S/C19H17N3O/c23-12-14(9-13-10-20-17-7-3-1-5-15(13)17)22-19-11-21-18-8-4-2-6-16(18)19/h1-8,10-12,14,20-22H,9H2/t14-/m0/s1
InChIKeyNDURMFSKJAZTEN-AWEZNQCLSA-N
XLogP3.87
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylamino)propanal 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-aminooxy-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]acetamide
CID 89438792
2-(dimethylamino)-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]acetamide
CID 122692537
2-amino-3-(1H-indol-3-yl)propanal;methanol
CID 144925794
2-amino-3-(1H-indol-3-yl)propanal;methoxymethane
CID 144925786
2-[(2-chlorophenyl)methyl]-3-(1H-indol-3-yl)propanal
CID 174572112
N-[(1S)-2-(1H-indol-3-yl)-1-(methylamino)ethyl]formamide
CID 89381035
(2S)-2-amino-N-[(2S)-1-[deuterio-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-(1H-indol-3-yl)propanamide
CID 123380763
[1-carboxy-2-(1H-indol-3-yl)ethyl]azanium
CID 5460842
2-(1H-indol-3-yl)ethane-1,1-diol
CID 21400411
(2S)-2-(ethylamino)-3-(1H-indol-3-yl)propanethioic S-acid
CID 175924820
benzyl N-[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 15289316
N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]formamide
CID 123425108

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylamino)propanal?
The IUPAC name of (2S)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylamino)propanal (CID 88877351) is (2S)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylamino)propanal.
What is the SMILES notation for (2S)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylamino)propanal?
The canonical SMILES for (2S)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylamino)propanal is O=C[C@H](Cc1c[nH]c2ccccc12)Nc1c[nH]c2ccccc12.
What is the InChIKey of (2S)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylamino)propanal?
The InChIKey is NDURMFSKJAZTEN-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H17N3O/c23-12-14(9-13-10-20-17-7-3-1-5-15(13)17)22-19-11-21-18-8-4-2-6-16(18)19/h1-8,10-12,14,20-22H,9H2/t14-/m0/s1.
What are the key properties of (2S)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylamino)propanal?
(2S)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylamino)propanal has a molecular weight of 303.37 g/mol, XLogP of 3.87, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylamino)propanal is sourced from PubChem (CID 88877351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).