2-[(6-fluoro-2-methyl-3,4-dihydro-2H-chromen-4-yl)amino]acetic acid

C12H14FNO3 — CID 70411227

IUPAC2-[(6-fluoro-2-methyl-3,4-dihydro-2H-chromen-4-yl)amino]acetic acid
SMILESCC1CC(NCC(=O)O)c2cc(F)ccc2O1
InChIInChI=1S/C12H14FNO3/c1-7-4-10(14-6-12(15)16)9-5-8(13)2-3-11(9)17-7/h2-3,5,7,10,14H,4,6H2,1H3,(H,15,16)
InChIKeyHRNLRUIVGGYAIB-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.71
Rot. Bonds3

About 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-chromen-4-yl)amino]acetic acid

2-[(6-fluoro-2-methyl-3,4-dihydro-2H-chromen-4-yl)amino]acetic acid (PubChem CID 70411227) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-chromen-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-fluoro-2-methyl-3,4-dihydro-2H-chromen-4-yl)amino]acetic acid
PubChem CID70411227
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name2-[(6-fluoro-2-methyl-3,4-dihydro-2H-chromen-4-yl)amino]acetic acid
SMILESCC1CC(NCC(=O)O)c2cc(F)ccc2O1
InChIInChI=1S/C12H14FNO3/c1-7-4-10(14-6-12(15)16)9-5-8(13)2-3-11(9)17-7/h2-3,5,7,10,14H,4,6H2,1H3,(H,15,16)
InChIKeyHRNLRUIVGGYAIB-UHFFFAOYSA-N
XLogP1.71
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-chromen-4-yl)amino]acetic 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-[(6-fluoro-2-methyl-3,4-dihydro-2H-chromen-4-yl)amino]acetic acid?
The IUPAC name of 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-chromen-4-yl)amino]acetic acid (CID 70411227) is 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-chromen-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-chromen-4-yl)amino]acetic acid?
The canonical SMILES for 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-chromen-4-yl)amino]acetic acid is CC1CC(NCC(=O)O)c2cc(F)ccc2O1.
What is the InChIKey of 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-chromen-4-yl)amino]acetic acid?
The InChIKey is HRNLRUIVGGYAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-7-4-10(14-6-12(15)16)9-5-8(13)2-3-11(9)17-7/h2-3,5,7,10,14H,4,6H2,1H3,(H,15,16).
What are the key properties of 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-chromen-4-yl)amino]acetic acid?
2-[(6-fluoro-2-methyl-3,4-dihydro-2H-chromen-4-yl)amino]acetic acid has a molecular weight of 239.25 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-chromen-4-yl)amino]acetic acid is sourced from PubChem (CID 70411227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).