2-[[2-[2-(difluoromethoxy)phenyl]acetyl]amino]propanoic acid

C12H13F2NO4 — CID 119225812

IUPAC2-[[2-[2-(difluoromethoxy)phenyl]acetyl]amino]propanoic acid
SMILESCC(NC(=O)Cc1ccccc1OC(F)F)C(=O)O
InChIInChI=1S/C12H13F2NO4/c1-7(11(17)18)15-10(16)6-8-4-2-3-5-9(8)19-12(13)14/h2-5,7,12H,6H2,1H3,(H,15,16)(H,17,18)
InChIKeyZEVXVUKASDGJLJ-UHFFFAOYSA-N
MW273.23 g/mol
LogP1.42
Rot. Bonds6

About 2-[[2-[2-(difluoromethoxy)phenyl]acetyl]amino]propanoic acid

2-[[2-[2-(difluoromethoxy)phenyl]acetyl]amino]propanoic acid (PubChem CID 119225812) has the molecular formula C12H13F2NO4 and a molecular weight of 273.23 g/mol. Its IUPAC name is 2-[[2-[2-(difluoromethoxy)phenyl]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-[2-(difluoromethoxy)phenyl]acetyl]amino]propanoic acid
PubChem CID119225812
Molecular FormulaC12H13F2NO4
Molecular Weight273.23 g/mol
Exact Mass273.08
IUPAC Name2-[[2-[2-(difluoromethoxy)phenyl]acetyl]amino]propanoic acid
SMILESCC(NC(=O)Cc1ccccc1OC(F)F)C(=O)O
InChIInChI=1S/C12H13F2NO4/c1-7(11(17)18)15-10(16)6-8-4-2-3-5-9(8)19-12(13)14/h2-5,7,12H,6H2,1H3,(H,15,16)(H,17,18)
InChIKeyZEVXVUKASDGJLJ-UHFFFAOYSA-N
XLogP1.42
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.23
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
CID 119225488
(2S)-2-[[2-[2-(difluoromethoxy)phenyl]acetyl]amino]-4-methylpentanoic acid
CID 119361873
N-[(2S)-1-aminopropan-2-yl]-2-[2-(difluoromethoxy)phenyl]acetamide
CID 120505995
2-cyclopropyl-2-[[2-[2-(difluoromethoxy)phenyl]acetyl]amino]acetic acid
CID 119214054
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]propanoic acid
CID 30120740
5-[[2-(difluoromethoxy)phenyl]methylamino]-3-methyl-5-oxopentanoic acid
CID 62965388
methyl 2-[[2-(difluoromethoxy)phenyl]methylamino]propanoate
CID 60780590
(2R)-2-[[2-(2-iodophenyl)acetyl]amino]propanoic acid
CID 120526942
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(difluoromethoxy)phenyl]acetamide
CID 119607084
(2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 2088738
(2S)-2-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]propanoic acid
CID 96664419
(2R)-4-methyl-2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid
CID 119364391

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(difluoromethoxy)phenyl]acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-[2-(difluoromethoxy)phenyl]acetyl]amino]propanoic acid (CID 119225812) is 2-[[2-[2-(difluoromethoxy)phenyl]acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-[2-(difluoromethoxy)phenyl]acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-[2-(difluoromethoxy)phenyl]acetyl]amino]propanoic acid is CC(NC(=O)Cc1ccccc1OC(F)F)C(=O)O.
What is the InChIKey of 2-[[2-[2-(difluoromethoxy)phenyl]acetyl]amino]propanoic acid?
The InChIKey is ZEVXVUKASDGJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO4/c1-7(11(17)18)15-10(16)6-8-4-2-3-5-9(8)19-12(13)14/h2-5,7,12H,6H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[2-[2-(difluoromethoxy)phenyl]acetyl]amino]propanoic acid?
2-[[2-[2-(difluoromethoxy)phenyl]acetyl]amino]propanoic acid has a molecular weight of 273.23 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(difluoromethoxy)phenyl]acetyl]amino]propanoic acid is sourced from PubChem (CID 119225812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).