2-[(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid

C12H13F2NO2 — CID 19434551

IUPAC2-[(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
SMILESO=C(O)CNC1CCc2c(F)cc(F)cc2C1
InChIInChI=1S/C12H13F2NO2/c13-8-3-7-4-9(15-6-12(16)17)1-2-10(7)11(14)5-8/h3,5,9,15H,1-2,4,6H2,(H,16,17)
InChIKeyZMISRZIENUDEDU-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.50
Rot. Bonds3

About 2-[(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid

2-[(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid (PubChem CID 19434551) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is 2-[(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
PubChem CID19434551
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name2-[(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
SMILESO=C(O)CNC1CCc2c(F)cc(F)cc2C1
InChIInChI=1S/C12H13F2NO2/c13-8-3-7-4-9(15-6-12(16)17)1-2-10(7)11(14)5-8/h3,5,9,15H,1-2,4,6H2,(H,16,17)
InChIKeyZMISRZIENUDEDU-UHFFFAOYSA-N
XLogP1.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-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

Related Compounds

L-Norvaline, N-[(2S)-6,8-difluoro-1,2,3,4-tetrahydro-2-naphthalenyl]-
CID 118704806
L-Norvaline, N-[(2S)-6,8-difluoro-1,2,3,4-tetrahydro-2-naphthalenyl]-, 1,1-dimethylethyl ester
CID 125301503
2-[Bis(4-fluorophenyl)methylamino]acetic acid
CID 10356127
[(5,7-Difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino] acetate
CID 17890267
2-[2-(2-Fluorophenyl)ethylamino]acetic acid
CID 18618365
2-[2-(3-Fluorophenyl)ethylamino]acetic acid
CID 18618403
2-[2-(4-Fluorophenyl)ethylamino]acetic acid
CID 18618411
2-[(5,7-Difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-formylamino]acetic acid
CID 19434519
2-[(6,8-Difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-formylamino]acetic acid
CID 19434544
Ethyl [(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetate
CID 19699373
2-[[4-(4-Fluorophenyl)cyclohexyl]amino]acetic acid
CID 21090442
2-[[4-[4-(Trifluoromethyl)phenyl]cyclohexyl]amino]acetic acid
CID 21090443

Frequently Asked Questions

What is the IUPAC name of 2-[(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid?
The IUPAC name of 2-[(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid (CID 19434551) is 2-[(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid?
The canonical SMILES for 2-[(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid is O=C(O)CNC1CCc2c(F)cc(F)cc2C1.
What is the InChIKey of 2-[(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid?
The InChIKey is ZMISRZIENUDEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c13-8-3-7-4-9(15-6-12(16)17)1-2-10(7)11(14)5-8/h3,5,9,15H,1-2,4,6H2,(H,16,17).
What are the key properties of 2-[(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid?
2-[(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid has a molecular weight of 241.24 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid is sourced from PubChem (CID 19434551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).