(3-aminoindol-3-yl)-ethylcarbamic acid

C11H13N3O2 — CID 66608180

IUPAC(3-aminoindol-3-yl)-ethylcarbamic acid
SMILESCCN(C(=O)O)C1(N)C=Nc2ccccc21
InChIInChI=1S/C11H13N3O2/c1-2-14(10(15)16)11(12)7-13-9-6-4-3-5-8(9)11/h3-7H,2,12H2,1H3,(H,15,16)
InChIKeyZLVZAJHWTDZJSB-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.51
Rot. Bonds2

About (3-aminoindol-3-yl)-ethylcarbamic acid

(3-aminoindol-3-yl)-ethylcarbamic acid (PubChem CID 66608180) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is (3-aminoindol-3-yl)-ethylcarbamic acid.

Molecular Properties

Compound Name(3-aminoindol-3-yl)-ethylcarbamic acid
PubChem CID66608180
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name(3-aminoindol-3-yl)-ethylcarbamic acid
SMILESCCN(C(=O)O)C1(N)C=Nc2ccccc21
InChIInChI=1S/C11H13N3O2/c1-2-14(10(15)16)11(12)7-13-9-6-4-3-5-8(9)11/h3-7H,2,12H2,1H3,(H,15,16)
InChIKeyZLVZAJHWTDZJSB-UHFFFAOYSA-N
XLogP1.51
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (3-aminoindol-3-yl)-ethylcarbamic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-aminoindol-3-yl)-ethylcarbamic acid?
The IUPAC name of (3-aminoindol-3-yl)-ethylcarbamic acid (CID 66608180) is (3-aminoindol-3-yl)-ethylcarbamic acid.
What is the SMILES notation for (3-aminoindol-3-yl)-ethylcarbamic acid?
The canonical SMILES for (3-aminoindol-3-yl)-ethylcarbamic acid is CCN(C(=O)O)C1(N)C=Nc2ccccc21.
What is the InChIKey of (3-aminoindol-3-yl)-ethylcarbamic acid?
The InChIKey is ZLVZAJHWTDZJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-2-14(10(15)16)11(12)7-13-9-6-4-3-5-8(9)11/h3-7H,2,12H2,1H3,(H,15,16).
What are the key properties of (3-aminoindol-3-yl)-ethylcarbamic acid?
(3-aminoindol-3-yl)-ethylcarbamic acid has a molecular weight of 219.24 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminoindol-3-yl)-ethylcarbamic acid is sourced from PubChem (CID 66608180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).