2-amino-2-fluoro-3-hydroxypropanoic acid

C3H6FNO3 — CID 156746245

IUPAC2-amino-2-fluoro-3-hydroxypropanoic acid
SMILESNC(F)(CO)C(=O)O
InChIInChI=1S/C3H6FNO3/c4-3(5,1-6)2(7)8/h6H,1,5H2,(H,7,8)
InChIKeyGZLNHXQAZXXFRY-UHFFFAOYSA-N
MW123.08 g/mol
LogP-1.31
Rot. Bonds2

About 2-amino-2-fluoro-3-hydroxypropanoic acid

2-amino-2-fluoro-3-hydroxypropanoic acid (PubChem CID 156746245) has the molecular formula C3H6FNO3 and a molecular weight of 123.08 g/mol. Its IUPAC name is 2-amino-2-fluoro-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-amino-2-fluoro-3-hydroxypropanoic acid
PubChem CID156746245
Molecular FormulaC3H6FNO3
Molecular Weight123.08 g/mol
Exact Mass123.03
IUPAC Name2-amino-2-fluoro-3-hydroxypropanoic acid
SMILESNC(F)(CO)C(=O)O
InChIInChI=1S/C3H6FNO3/c4-3(5,1-6)2(7)8/h6H,1,5H2,(H,7,8)
InChIKeyGZLNHXQAZXXFRY-UHFFFAOYSA-N
XLogP-1.31
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.08
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-2-fluoro-4-methylsulfanylbutanoic acid
CID 174641982
(2R)-2-amino-2-fluoro-3-phenylpropanoic acid
CID 54456970
(2S)-2,3-diamino-2-(hydroxymethyl)-3-oxopropanoic acid
CID 69029304
2-amino-2-methylpropan-1-ol;carbonic acid
CID 21330274
ethane-1,2-diamine;2,2,2-trifluoroacetic acid
CID 87485820
(2S)-3,3,3-trifluoro-2-(hydroxymethyl)-2-methylpropanoic acid
CID 162549320
(2S)-2-amino-2-(hydroxymethyl)-3-sulfanylpropanoic acid
CID 87481343
carbonic acid;bis(2,2,3,3,3-pentafluoropropan-1-ol)
CID 71351128
guanidine;2,2,2-trifluoroacetic acid;hydrochloride
CID 18698242
ethanol;2,2,2-trifluoroacetic acid;hydrate
CID 18377865
2-methylpropan-2-amine;2,2,2-trifluoroacetic acid;hydroiodide
CID 173177783
bis(propan-2-one);2,2,2-trifluoroacetic acid
CID 175331855

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-fluoro-3-hydroxypropanoic acid?
The IUPAC name of 2-amino-2-fluoro-3-hydroxypropanoic acid (CID 156746245) is 2-amino-2-fluoro-3-hydroxypropanoic acid.
What is the SMILES notation for 2-amino-2-fluoro-3-hydroxypropanoic acid?
The canonical SMILES for 2-amino-2-fluoro-3-hydroxypropanoic acid is NC(F)(CO)C(=O)O.
What is the InChIKey of 2-amino-2-fluoro-3-hydroxypropanoic acid?
The InChIKey is GZLNHXQAZXXFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6FNO3/c4-3(5,1-6)2(7)8/h6H,1,5H2,(H,7,8).
What are the key properties of 2-amino-2-fluoro-3-hydroxypropanoic acid?
2-amino-2-fluoro-3-hydroxypropanoic acid has a molecular weight of 123.08 g/mol, XLogP of -1.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-fluoro-3-hydroxypropanoic acid is sourced from PubChem (CID 156746245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).