2-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxoethoxy]acetic acid

C12H13F2NO5 — CID 60711310

IUPAC2-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)NCc1ccccc1OC(F)F
InChIInChI=1S/C12H13F2NO5/c13-12(14)20-9-4-2-1-3-8(9)5-15-10(16)6-19-7-11(17)18/h1-4,12H,5-7H2,(H,15,16)(H,17,18)
InChIKeyKHAKRYAROXCNPL-UHFFFAOYSA-N
MW289.23 g/mol
LogP1.01
Rot. Bonds8

About 2-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxoethoxy]acetic acid

2-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxoethoxy]acetic acid (PubChem CID 60711310) has the molecular formula C12H13F2NO5 and a molecular weight of 289.23 g/mol. Its IUPAC name is 2-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxoethoxy]acetic acid
PubChem CID60711310
Molecular FormulaC12H13F2NO5
Molecular Weight289.23 g/mol
Exact Mass289.08
IUPAC Name2-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)NCc1ccccc1OC(F)F
InChIInChI=1S/C12H13F2NO5/c13-12(14)20-9-4-2-1-3-8(9)5-15-10(16)6-19-7-11(17)18/h1-4,12H,5-7H2,(H,15,16)(H,17,18)
InChIKeyKHAKRYAROXCNPL-UHFFFAOYSA-N
XLogP1.01
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.23
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[[2-(difluoromethoxy)phenyl]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-benzhydryloxy-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide
CID 30253696
5-[[2-(difluoromethoxy)phenyl]methylamino]-3-methyl-5-oxopentanoic acid
CID 62965388
N-benzyl-3-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]propanamide
CID 51129432
6-amino-N-[[2-(difluoromethoxy)phenyl]methyl]hexanamide
CID 61252840
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 17455488
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430390
3-cyclopentyl-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide
CID 86915882
2-[[2-(difluoromethoxy)phenyl]methylamino]ethylurea
CID 83109474
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxy-5-methylphenyl)acetamide
CID 18143923
2-(4-chlorophenyl)sulfonyl-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide
CID 24614465
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119700388
N-[2-(difluoromethoxy)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 78991445

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxoethoxy]acetic acid (CID 60711310) is 2-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxoethoxy]acetic acid is O=C(O)COCC(=O)NCc1ccccc1OC(F)F.
What is the InChIKey of 2-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxoethoxy]acetic acid?
The InChIKey is KHAKRYAROXCNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO5/c13-12(14)20-9-4-2-1-3-8(9)5-15-10(16)6-19-7-11(17)18/h1-4,12H,5-7H2,(H,15,16)(H,17,18).
What are the key properties of 2-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxoethoxy]acetic acid?
2-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxoethoxy]acetic acid has a molecular weight of 289.23 g/mol, XLogP of 1.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 60711310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).