2-amino-4-hydroxy-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid

C11H11F4NO4 — CID 22134602

IUPAC2-amino-4-hydroxy-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
SMILESNC(CC(O)COc1c(F)c(F)cc(F)c1F)C(=O)O
InChIInChI=1S/C11H11F4NO4/c12-5-2-6(13)9(15)10(8(5)14)20-3-4(17)1-7(16)11(18)19/h2,4,7,17H,1,3,16H2,(H,18,19)
InChIKeyXMAMNGJUQKAFSE-UHFFFAOYSA-N
MW297.20 g/mol
LogP0.78
Rot. Bonds6

About 2-amino-4-hydroxy-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid

2-amino-4-hydroxy-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid (PubChem CID 22134602) has the molecular formula C11H11F4NO4 and a molecular weight of 297.20 g/mol. Its IUPAC name is 2-amino-4-hydroxy-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid.

Molecular Properties

Compound Name2-amino-4-hydroxy-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
PubChem CID22134602
Molecular FormulaC11H11F4NO4
Molecular Weight297.20 g/mol
Exact Mass297.06
IUPAC Name2-amino-4-hydroxy-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
SMILESNC(CC(O)COc1c(F)c(F)cc(F)c1F)C(=O)O
InChIInChI=1S/C11H11F4NO4/c12-5-2-6(13)9(15)10(8(5)14)20-3-4(17)1-7(16)11(18)19/h2,4,7,17H,1,3,16H2,(H,18,19)
InChIKeyXMAMNGJUQKAFSE-UHFFFAOYSA-N
XLogP0.78
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,3,5,6-tetrafluorophenoxy)butan-2-ol
CID 103289730
5-amino-6-oxo-7-(2,3,5,6-tetrafluorophenoxy)heptanoic acid
CID 155090138
(2R)-1-(2,3,5,6-tetrafluorophenoxy)propan-2-amine
CID 103289142
2-amino-3-(2,6-difluorophenoxy)propanoic acid
CID 81269565
2-amino-4-(2,3,4,5,6-pentafluorophenoxy)butanoic acid
CID 63033537
2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 2544338
1-(cyclopropylamino)-3-(2,3,5,6-tetrafluorophenoxy)propan-2-ol
CID 103289374
1,2,4,5-tetrafluoro-3-(2-methylpropoxy)benzene
CID 58298374
methyl 4-hydroxy-3-methyl-5-(2,3,5,6-tetrafluorophenoxy)pentanoate
CID 145399399
methyl 2-acetamido-3-(2,3,5,6-tetrafluorophenoxy)propanoate
CID 103288839
ethyl 2-(ethylamino)-3-(2,3,5,6-tetrafluorophenoxy)propanoate
CID 103290033
4-(2,3,5,6-tetrafluorophenoxy)butanoic acid
CID 103288808

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-hydroxy-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid?
The IUPAC name of 2-amino-4-hydroxy-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid (CID 22134602) is 2-amino-4-hydroxy-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid.
What is the SMILES notation for 2-amino-4-hydroxy-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid?
The canonical SMILES for 2-amino-4-hydroxy-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid is NC(CC(O)COc1c(F)c(F)cc(F)c1F)C(=O)O.
What is the InChIKey of 2-amino-4-hydroxy-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid?
The InChIKey is XMAMNGJUQKAFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO4/c12-5-2-6(13)9(15)10(8(5)14)20-3-4(17)1-7(16)11(18)19/h2,4,7,17H,1,3,16H2,(H,18,19).
What are the key properties of 2-amino-4-hydroxy-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid?
2-amino-4-hydroxy-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid has a molecular weight of 297.20 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-hydroxy-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid is sourced from PubChem (CID 22134602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).