2-[[2-hydroxy-3-(2,2,3,3,3-pentafluoropropanoyloxy)propyl]amino]acetic acid

C8H10F5NO5 — CID 130266599

IUPAC2-[[2-hydroxy-3-(2,2,3,3,3-pentafluoropropanoyloxy)propyl]amino]acetic acid
SMILESO=C(O)CNCC(O)COC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F5NO5/c9-7(10,8(11,12)13)6(18)19-3-4(15)1-14-2-5(16)17/h4,14-15H,1-3H2,(H,16,17)
InChIKeyVNKKMJDYMKBXGO-UHFFFAOYSA-N
MW295.16 g/mol
LogP-0.24
Rot. Bonds7

About 2-[[2-hydroxy-3-(2,2,3,3,3-pentafluoropropanoyloxy)propyl]amino]acetic acid

2-[[2-hydroxy-3-(2,2,3,3,3-pentafluoropropanoyloxy)propyl]amino]acetic acid (PubChem CID 130266599) has the molecular formula C8H10F5NO5 and a molecular weight of 295.16 g/mol. Its IUPAC name is 2-[[2-hydroxy-3-(2,2,3,3,3-pentafluoropropanoyloxy)propyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-hydroxy-3-(2,2,3,3,3-pentafluoropropanoyloxy)propyl]amino]acetic acid
PubChem CID130266599
Molecular FormulaC8H10F5NO5
Molecular Weight295.16 g/mol
Exact Mass295.05
IUPAC Name2-[[2-hydroxy-3-(2,2,3,3,3-pentafluoropropanoyloxy)propyl]amino]acetic acid
SMILESO=C(O)CNCC(O)COC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F5NO5/c9-7(10,8(11,12)13)6(18)19-3-4(15)1-14-2-5(16)17/h4,14-15H,1-3H2,(H,16,17)
InChIKeyVNKKMJDYMKBXGO-UHFFFAOYSA-N
XLogP-0.24
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[[2-hydroxy-3-(2,2,3,3,3-pentafluoropropanoyloxy)propyl]amino]acetic acid?
The IUPAC name of 2-[[2-hydroxy-3-(2,2,3,3,3-pentafluoropropanoyloxy)propyl]amino]acetic acid (CID 130266599) is 2-[[2-hydroxy-3-(2,2,3,3,3-pentafluoropropanoyloxy)propyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-hydroxy-3-(2,2,3,3,3-pentafluoropropanoyloxy)propyl]amino]acetic acid?
The canonical SMILES for 2-[[2-hydroxy-3-(2,2,3,3,3-pentafluoropropanoyloxy)propyl]amino]acetic acid is O=C(O)CNCC(O)COC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-[[2-hydroxy-3-(2,2,3,3,3-pentafluoropropanoyloxy)propyl]amino]acetic acid?
The InChIKey is VNKKMJDYMKBXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F5NO5/c9-7(10,8(11,12)13)6(18)19-3-4(15)1-14-2-5(16)17/h4,14-15H,1-3H2,(H,16,17).
What are the key properties of 2-[[2-hydroxy-3-(2,2,3,3,3-pentafluoropropanoyloxy)propyl]amino]acetic acid?
2-[[2-hydroxy-3-(2,2,3,3,3-pentafluoropropanoyloxy)propyl]amino]acetic acid has a molecular weight of 295.16 g/mol, XLogP of -0.24, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-3-(2,2,3,3,3-pentafluoropropanoyloxy)propyl]amino]acetic acid is sourced from PubChem (CID 130266599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).