2-amino-3-(3-fluoro-1,2-dihydroindol-3-yl)propanoic acid

C11H13FN2O2 — CID 70376936

IUPAC2-amino-3-(3-fluoro-1,2-dihydroindol-3-yl)propanoic acid
SMILESNC(CC1(F)CNc2ccccc21)C(=O)O
InChIInChI=1S/C11H13FN2O2/c12-11(5-8(13)10(15)16)6-14-9-4-2-1-3-7(9)11/h1-4,8,14H,5-6,13H2,(H,15,16)
InChIKeyTWOPAYWXCBOEMQ-UHFFFAOYSA-N
MW224.24 g/mol
LogP1.08
Rot. Bonds3

About 2-amino-3-(3-fluoro-1,2-dihydroindol-3-yl)propanoic acid

2-amino-3-(3-fluoro-1,2-dihydroindol-3-yl)propanoic acid (PubChem CID 70376936) has the molecular formula C11H13FN2O2 and a molecular weight of 224.24 g/mol. Its IUPAC name is 2-amino-3-(3-fluoro-1,2-dihydroindol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-fluoro-1,2-dihydroindol-3-yl)propanoic acid
PubChem CID70376936
Molecular FormulaC11H13FN2O2
Molecular Weight224.24 g/mol
Exact Mass224.10
IUPAC Name2-amino-3-(3-fluoro-1,2-dihydroindol-3-yl)propanoic acid
SMILESNC(CC1(F)CNc2ccccc21)C(=O)O
InChIInChI=1S/C11H13FN2O2/c12-11(5-8(13)10(15)16)6-14-9-4-2-1-3-7(9)11/h1-4,8,14H,5-6,13H2,(H,15,16)
InChIKeyTWOPAYWXCBOEMQ-UHFFFAOYSA-N
XLogP1.08
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-(3-fluoro-1,2-dihydroindol-3-yl)propanoic 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 2-amino-3-(3-fluoro-1,2-dihydroindol-3-yl)propanoic acid?
The IUPAC name of 2-amino-3-(3-fluoro-1,2-dihydroindol-3-yl)propanoic acid (CID 70376936) is 2-amino-3-(3-fluoro-1,2-dihydroindol-3-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(3-fluoro-1,2-dihydroindol-3-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(3-fluoro-1,2-dihydroindol-3-yl)propanoic acid is NC(CC1(F)CNc2ccccc21)C(=O)O.
What is the InChIKey of 2-amino-3-(3-fluoro-1,2-dihydroindol-3-yl)propanoic acid?
The InChIKey is TWOPAYWXCBOEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c12-11(5-8(13)10(15)16)6-14-9-4-2-1-3-7(9)11/h1-4,8,14H,5-6,13H2,(H,15,16).
What are the key properties of 2-amino-3-(3-fluoro-1,2-dihydroindol-3-yl)propanoic acid?
2-amino-3-(3-fluoro-1,2-dihydroindol-3-yl)propanoic acid has a molecular weight of 224.24 g/mol, XLogP of 1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-fluoro-1,2-dihydroindol-3-yl)propanoic acid is sourced from PubChem (CID 70376936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).