2-[2-[(3-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid

C11H12FNO4 — CID 61328410

IUPAC2-[2-[(3-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)NCc1cccc(F)c1
InChIInChI=1S/C11H12FNO4/c12-9-3-1-2-8(4-9)5-13-10(14)6-17-7-11(15)16/h1-4H,5-7H2,(H,13,14)(H,15,16)
InChIKeyORTDJTUSJVBIQN-UHFFFAOYSA-N
MW241.22 g/mol
LogP0.54
Rot. Bonds6

About 2-[2-[(3-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid

2-[2-[(3-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid (PubChem CID 61328410) has the molecular formula C11H12FNO4 and a molecular weight of 241.22 g/mol. Its IUPAC name is 2-[2-[(3-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid
PubChem CID61328410
Molecular FormulaC11H12FNO4
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name2-[2-[(3-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)NCc1cccc(F)c1
InChIInChI=1S/C11H12FNO4/c12-9-3-1-2-8(4-9)5-13-10(14)6-17-7-11(15)16/h1-4H,5-7H2,(H,13,14)(H,15,16)
InChIKeyORTDJTUSJVBIQN-UHFFFAOYSA-N
XLogP0.54
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-[(3-fluorophenyl)methylamino]-2-oxoethoxy]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

2-[2-[(3-chlorophenyl)methylamino]-2-oxoethoxy]acetic acid
CID 60708141
2-[2-[(3-bromophenyl)methylamino]-2-oxoethoxy]acetic acid
CID 7357757
4-[(3-fluorophenyl)methylamino]-4-oxobutanoic acid
CID 43529773
N-benzyl-2-[2-(benzylamino)-2-oxoethoxy]acetamide
CID 2322352
2-[(3-fluorophenyl)methylcarbamoylamino]acetic acid
CID 16780933
2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetic acid
CID 3643287
2-anilino-N-[(3-fluorophenyl)methyl]acetamide
CID 54927417
2-[2-[(4-bromophenyl)methylamino]-2-oxoethoxy]acetic acid
CID 61328220
2-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]acetic acid
CID 17283229
1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea
CID 47172429
2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide
CID 47161047
3-(3-aminophenyl)-N-[(3-fluorophenyl)methyl]propanamide
CID 43309221

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(3-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid (CID 61328410) is 2-[2-[(3-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(3-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(3-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid is O=C(O)COCC(=O)NCc1cccc(F)c1.
What is the InChIKey of 2-[2-[(3-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid?
The InChIKey is ORTDJTUSJVBIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO4/c12-9-3-1-2-8(4-9)5-13-10(14)6-17-7-11(15)16/h1-4H,5-7H2,(H,13,14)(H,15,16).
What are the key properties of 2-[2-[(3-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid?
2-[2-[(3-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid has a molecular weight of 241.22 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61328410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).