2-[[4-(carboxymethylamino)-2,2,3,3-tetrafluoro-4-oxobutanoyl]amino]acetic acid

C8H8F4N2O6 — CID 14249312

IUPAC2-[[4-(carboxymethylamino)-2,2,3,3-tetrafluoro-4-oxobutanoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C(F)(F)C(F)(F)C(=O)NCC(=O)O
InChIInChI=1S/C8H8F4N2O6/c9-7(10,5(19)13-1-3(15)16)8(11,12)6(20)14-2-4(17)18/h1-2H2,(H,13,19)(H,14,20)(H,15,16)(H,17,18)
InChIKeyUOXYWFNQLSNBHE-UHFFFAOYSA-N
MW304.15 g/mol
LogP-1.34
Rot. Bonds7

About 2-[[4-(carboxymethylamino)-2,2,3,3-tetrafluoro-4-oxobutanoyl]amino]acetic acid

2-[[4-(carboxymethylamino)-2,2,3,3-tetrafluoro-4-oxobutanoyl]amino]acetic acid (PubChem CID 14249312) has the molecular formula C8H8F4N2O6 and a molecular weight of 304.15 g/mol. Its IUPAC name is 2-[[4-(carboxymethylamino)-2,2,3,3-tetrafluoro-4-oxobutanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(carboxymethylamino)-2,2,3,3-tetrafluoro-4-oxobutanoyl]amino]acetic acid
PubChem CID14249312
Molecular FormulaC8H8F4N2O6
Molecular Weight304.15 g/mol
Exact Mass304.03
IUPAC Name2-[[4-(carboxymethylamino)-2,2,3,3-tetrafluoro-4-oxobutanoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C(F)(F)C(F)(F)C(=O)NCC(=O)O
InChIInChI=1S/C8H8F4N2O6/c9-7(10,5(19)13-1-3(15)16)8(11,12)6(20)14-2-4(17)18/h1-2H2,(H,13,19)(H,14,20)(H,15,16)(H,17,18)
InChIKeyUOXYWFNQLSNBHE-UHFFFAOYSA-N
XLogP-1.34
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 5-1.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(carboxymethylamino)-2,2,3,3-tetrafluoro-4-oxobutanoyl]amino]acetic acid?
The IUPAC name of 2-[[4-(carboxymethylamino)-2,2,3,3-tetrafluoro-4-oxobutanoyl]amino]acetic acid (CID 14249312) is 2-[[4-(carboxymethylamino)-2,2,3,3-tetrafluoro-4-oxobutanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(carboxymethylamino)-2,2,3,3-tetrafluoro-4-oxobutanoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-(carboxymethylamino)-2,2,3,3-tetrafluoro-4-oxobutanoyl]amino]acetic acid is O=C(O)CNC(=O)C(F)(F)C(F)(F)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[4-(carboxymethylamino)-2,2,3,3-tetrafluoro-4-oxobutanoyl]amino]acetic acid?
The InChIKey is UOXYWFNQLSNBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4N2O6/c9-7(10,5(19)13-1-3(15)16)8(11,12)6(20)14-2-4(17)18/h1-2H2,(H,13,19)(H,14,20)(H,15,16)(H,17,18).
What are the key properties of 2-[[4-(carboxymethylamino)-2,2,3,3-tetrafluoro-4-oxobutanoyl]amino]acetic acid?
2-[[4-(carboxymethylamino)-2,2,3,3-tetrafluoro-4-oxobutanoyl]amino]acetic acid has a molecular weight of 304.15 g/mol, XLogP of -1.34, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(carboxymethylamino)-2,2,3,3-tetrafluoro-4-oxobutanoyl]amino]acetic acid is sourced from PubChem (CID 14249312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).