2-[[2-(2,5-difluorophenyl)acetyl]-(oxan-4-yl)amino]acetic acid

C15H17F2NO4 — CID 119211258

IUPAC2-[[2-(2,5-difluorophenyl)acetyl]-(oxan-4-yl)amino]acetic acid
SMILESO=C(O)CN(C(=O)Cc1cc(F)ccc1F)C1CCOCC1
InChIInChI=1S/C15H17F2NO4/c16-11-1-2-13(17)10(7-11)8-14(19)18(9-15(20)21)12-3-5-22-6-4-12/h1-2,7,12H,3-6,8-9H2,(H,20,21)
InChIKeyCDYXFAJYBJWWMP-UHFFFAOYSA-N
MW313.30 g/mol
LogP1.60
Rot. Bonds5

About 2-[[2-(2,5-difluorophenyl)acetyl]-(oxan-4-yl)amino]acetic acid

2-[[2-(2,5-difluorophenyl)acetyl]-(oxan-4-yl)amino]acetic acid (PubChem CID 119211258) has the molecular formula C15H17F2NO4 and a molecular weight of 313.30 g/mol. Its IUPAC name is 2-[[2-(2,5-difluorophenyl)acetyl]-(oxan-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2,5-difluorophenyl)acetyl]-(oxan-4-yl)amino]acetic acid
PubChem CID119211258
Molecular FormulaC15H17F2NO4
Molecular Weight313.30 g/mol
Exact Mass313.11
IUPAC Name2-[[2-(2,5-difluorophenyl)acetyl]-(oxan-4-yl)amino]acetic acid
SMILESO=C(O)CN(C(=O)Cc1cc(F)ccc1F)C1CCOCC1
InChIInChI=1S/C15H17F2NO4/c16-11-1-2-13(17)10(7-11)8-14(19)18(9-15(20)21)12-3-5-22-6-4-12/h1-2,7,12H,3-6,8-9H2,(H,20,21)
InChIKeyCDYXFAJYBJWWMP-UHFFFAOYSA-N
XLogP1.60
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(2,5-difluorophenyl)acetyl]-(oxan-4-yl)amino]acetic acid with MolForge

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Related Compounds

2-[(4-chloro-2-fluorobenzoyl)-(oxan-4-yl)amino]acetic acid
CID 119211140
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-(oxan-4-yl)amino]acetic acid
CID 119211275
2-[[2-(2,5-difluorophenyl)acetyl]-ethylamino]acetic acid
CID 119206164
2-[(4-chlorobenzoyl)-(oxan-4-yl)amino]acetic acid
CID 154742650
2-[(2,5-dichlorobenzoyl)-(oxan-4-yl)amino]acetic acid
CID 119211299
4-fluoro-2-[[methyl(oxan-4-yl)amino]methyl]benzoic acid
CID 107907567
2-[[2-(6-methyl-1H-indol-3-yl)acetyl]-(oxan-4-yl)amino]acetic acid
CID 136515838
2-[3-(3-fluorophenyl)but-2-enoyl-(oxan-4-yl)amino]acetic acid
CID 126775673
2-[[(2R)-2-(2-chloro-4-fluorophenoxy)propanoyl]-(oxan-4-yl)amino]acetic acid
CID 125152341
1-(2,5-difluorophenyl)-3-(oxolan-3-yl)propan-2-one
CID 103986233
2-[[4-(3-fluorophenoxy)benzoyl]-(oxan-4-yl)amino]acetic acid
CID 119211384
2-[3-(2,5-difluorophenyl)propanoyl-methylamino]acetic acid
CID 119171811

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-difluorophenyl)acetyl]-(oxan-4-yl)amino]acetic acid?
The IUPAC name of 2-[[2-(2,5-difluorophenyl)acetyl]-(oxan-4-yl)amino]acetic acid (CID 119211258) is 2-[[2-(2,5-difluorophenyl)acetyl]-(oxan-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(2,5-difluorophenyl)acetyl]-(oxan-4-yl)amino]acetic acid?
The canonical SMILES for 2-[[2-(2,5-difluorophenyl)acetyl]-(oxan-4-yl)amino]acetic acid is O=C(O)CN(C(=O)Cc1cc(F)ccc1F)C1CCOCC1.
What is the InChIKey of 2-[[2-(2,5-difluorophenyl)acetyl]-(oxan-4-yl)amino]acetic acid?
The InChIKey is CDYXFAJYBJWWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO4/c16-11-1-2-13(17)10(7-11)8-14(19)18(9-15(20)21)12-3-5-22-6-4-12/h1-2,7,12H,3-6,8-9H2,(H,20,21).
What are the key properties of 2-[[2-(2,5-difluorophenyl)acetyl]-(oxan-4-yl)amino]acetic acid?
2-[[2-(2,5-difluorophenyl)acetyl]-(oxan-4-yl)amino]acetic acid has a molecular weight of 313.30 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-difluorophenyl)acetyl]-(oxan-4-yl)amino]acetic acid is sourced from PubChem (CID 119211258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).