4-carbazol-9-yl-2-(methylamino)butanoic acid

C17H18N2O2 — CID 63038805

IUPAC4-carbazol-9-yl-2-(methylamino)butanoic acid
SMILESCNC(CCn1c2ccccc2c2ccccc21)C(=O)O
InChIInChI=1S/C17H18N2O2/c1-18-14(17(20)21)10-11-19-15-8-4-2-6-12(15)13-7-3-5-9-16(13)19/h2-9,14,18H,10-11H2,1H3,(H,20,21)
InChIKeyIJBRJJUUWHQSRG-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.86
Rot. Bonds5

About 4-carbazol-9-yl-2-(methylamino)butanoic acid

4-carbazol-9-yl-2-(methylamino)butanoic acid (PubChem CID 63038805) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-carbazol-9-yl-2-(methylamino)butanoic acid.

Molecular Properties

Compound Name4-carbazol-9-yl-2-(methylamino)butanoic acid
PubChem CID63038805
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-carbazol-9-yl-2-(methylamino)butanoic acid
SMILESCNC(CCn1c2ccccc2c2ccccc21)C(=O)O
InChIInChI=1S/C17H18N2O2/c1-18-14(17(20)21)10-11-19-15-8-4-2-6-12(15)13-7-3-5-9-16(13)19/h2-9,14,18H,10-11H2,1H3,(H,20,21)
InChIKeyIJBRJJUUWHQSRG-UHFFFAOYSA-N
XLogP2.86
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-carbazol-9-yl-2-(methylamino)butanoic 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 4-carbazol-9-yl-2-(methylamino)butanoic acid?
The IUPAC name of 4-carbazol-9-yl-2-(methylamino)butanoic acid (CID 63038805) is 4-carbazol-9-yl-2-(methylamino)butanoic acid.
What is the SMILES notation for 4-carbazol-9-yl-2-(methylamino)butanoic acid?
The canonical SMILES for 4-carbazol-9-yl-2-(methylamino)butanoic acid is CNC(CCn1c2ccccc2c2ccccc21)C(=O)O.
What is the InChIKey of 4-carbazol-9-yl-2-(methylamino)butanoic acid?
The InChIKey is IJBRJJUUWHQSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-18-14(17(20)21)10-11-19-15-8-4-2-6-12(15)13-7-3-5-9-16(13)19/h2-9,14,18H,10-11H2,1H3,(H,20,21).
What are the key properties of 4-carbazol-9-yl-2-(methylamino)butanoic acid?
4-carbazol-9-yl-2-(methylamino)butanoic acid has a molecular weight of 282.34 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-2-(methylamino)butanoic acid is sourced from PubChem (CID 63038805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).