3-(carboxyamino)-2-fluoropropanoic acid

C4H6FNO4 — CID 23236032

IUPAC3-(carboxyamino)-2-fluoropropanoic acid
SMILESO=C(O)NCC(F)C(=O)O
InChIInChI=1S/C4H6FNO4/c5-2(3(7)8)1-6-4(9)10/h2,6H,1H2,(H,7,8)(H,9,10)
InChIKeyLOESHNCLSDGVGT-UHFFFAOYSA-N
MW151.09 g/mol
LogP-0.32
Rot. Bonds3

About 3-(carboxyamino)-2-fluoropropanoic acid

3-(carboxyamino)-2-fluoropropanoic acid (PubChem CID 23236032) has the molecular formula C4H6FNO4 and a molecular weight of 151.09 g/mol. Its IUPAC name is 3-(carboxyamino)-2-fluoropropanoic acid.

Molecular Properties

Compound Name3-(carboxyamino)-2-fluoropropanoic acid
PubChem CID23236032
Molecular FormulaC4H6FNO4
Molecular Weight151.09 g/mol
Exact Mass151.03
IUPAC Name3-(carboxyamino)-2-fluoropropanoic acid
SMILESO=C(O)NCC(F)C(=O)O
InChIInChI=1S/C4H6FNO4/c5-2(3(7)8)1-6-4(9)10/h2,6H,1H2,(H,7,8)(H,9,10)
InChIKeyLOESHNCLSDGVGT-UHFFFAOYSA-N
XLogP-0.32
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.09
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(carboxyamino)-2-fluoropropanoic acid?
The IUPAC name of 3-(carboxyamino)-2-fluoropropanoic acid (CID 23236032) is 3-(carboxyamino)-2-fluoropropanoic acid.
What is the SMILES notation for 3-(carboxyamino)-2-fluoropropanoic acid?
The canonical SMILES for 3-(carboxyamino)-2-fluoropropanoic acid is O=C(O)NCC(F)C(=O)O.
What is the InChIKey of 3-(carboxyamino)-2-fluoropropanoic acid?
The InChIKey is LOESHNCLSDGVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FNO4/c5-2(3(7)8)1-6-4(9)10/h2,6H,1H2,(H,7,8)(H,9,10).
What are the key properties of 3-(carboxyamino)-2-fluoropropanoic acid?
3-(carboxyamino)-2-fluoropropanoic acid has a molecular weight of 151.09 g/mol, XLogP of -0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carboxyamino)-2-fluoropropanoic acid is sourced from PubChem (CID 23236032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).