[1-carboxy-2-(1H-indol-3-yl)ethyl]azanium

C11H13N2O2+ — CID 5460842

IUPAC[1-carboxy-2-(1H-indol-3-yl)ethyl]azanium
SMILES[NH3+]C(Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/p+1
InChIKeyQIVBCDIJIAJPQS-UHFFFAOYSA-O
MW205.24 g/mol
LogP0.41
Rot. Bonds3

About [1-carboxy-2-(1H-indol-3-yl)ethyl]azanium

[1-carboxy-2-(1H-indol-3-yl)ethyl]azanium (PubChem CID 5460842) has the molecular formula C11H13N2O2+ and a molecular weight of 205.24 g/mol. Its IUPAC name is [1-carboxy-2-(1H-indol-3-yl)ethyl]azanium.

Molecular Properties

Compound Name[1-carboxy-2-(1H-indol-3-yl)ethyl]azanium
PubChem CID5460842
Molecular FormulaC11H13N2O2+
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name[1-carboxy-2-(1H-indol-3-yl)ethyl]azanium
SMILES[NH3+]C(Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/p+1
InChIKeyQIVBCDIJIAJPQS-UHFFFAOYSA-O
XLogP0.41
TPSA80.73 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Analyze [1-carboxy-2-(1H-indol-3-yl)ethyl]azanium 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

CID 70188356
CID 70188356
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;manganese
CID 159424306
3-(1H-indol-3-yl)-2-phenylpropanoic acid
CID 71683616
2-amino-3-(1H-indol-3-yl)propanoic acid;gold
CID 175305655
2-amino-3-(1H-indol-3-yl)propanoic acid;dihydrate
CID 86010535
[(2S)-1-(dimethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium chloride
CID 10516015
[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]azanium chloride
CID 2737346
[(2S)-3-(1H-indol-3-yl)-1-oxo-1-phenylmethoxypropan-2-yl]azanium chloride
CID 10980445
(2S)-3-(1H-indol-3-yl)-2-methylsulfanylpropanoic acid
CID 167000700
(2S)-3-(1H-indol-3-yl)-2-thionitrosopropanoic acid
CID 87396106

Frequently Asked Questions

What is the IUPAC name of [1-carboxy-2-(1H-indol-3-yl)ethyl]azanium?
The IUPAC name of [1-carboxy-2-(1H-indol-3-yl)ethyl]azanium (CID 5460842) is [1-carboxy-2-(1H-indol-3-yl)ethyl]azanium.
What is the SMILES notation for [1-carboxy-2-(1H-indol-3-yl)ethyl]azanium?
The canonical SMILES for [1-carboxy-2-(1H-indol-3-yl)ethyl]azanium is [NH3+]C(Cc1c[nH]c2ccccc12)C(=O)O.
What is the InChIKey of [1-carboxy-2-(1H-indol-3-yl)ethyl]azanium?
The InChIKey is QIVBCDIJIAJPQS-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/p+1.
What are the key properties of [1-carboxy-2-(1H-indol-3-yl)ethyl]azanium?
[1-carboxy-2-(1H-indol-3-yl)ethyl]azanium has a molecular weight of 205.24 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-carboxy-2-(1H-indol-3-yl)ethyl]azanium is sourced from PubChem (CID 5460842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).