3-(fluoroamino)propanoic acid

C3H6FNO2 — CID 22665129

IUPAC3-(fluoroamino)propanoic acid
SMILESO=C(O)CCNF
InChIInChI=1S/C3H6FNO2/c4-5-2-1-3(6)7/h5H,1-2H2,(H,6,7)
InChIKeyLASFZUMWPDIASP-UHFFFAOYSA-N
MW107.08 g/mol
LogP-0.06
Rot. Bonds3

About 3-(fluoroamino)propanoic acid

3-(fluoroamino)propanoic acid (PubChem CID 22665129) has the molecular formula C3H6FNO2 and a molecular weight of 107.08 g/mol. Its IUPAC name is 3-(fluoroamino)propanoic acid.

Molecular Properties

Compound Name3-(fluoroamino)propanoic acid
PubChem CID22665129
Molecular FormulaC3H6FNO2
Molecular Weight107.08 g/mol
Exact Mass107.04
IUPAC Name3-(fluoroamino)propanoic acid
SMILESO=C(O)CCNF
InChIInChI=1S/C3H6FNO2/c4-5-2-1-3(6)7/h5H,1-2H2,(H,6,7)
InChIKeyLASFZUMWPDIASP-UHFFFAOYSA-N
XLogP-0.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.08
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-[2-[2-[2-[2-(2-carboxyethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]propanoic acid
CID 88924082
3-(oxaldehydoylamino)propanoic acid
CID 129042205
3-(4-iodoanilino)propanoic acid
CID 28976553
CID 87067075
CID 87067075
butanedioic acid;difluoromethane
CID 159584710
3-(carboxymethylamino)propanoic acid;ethane
CID 143762125
3-[[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl](15N)amino](1,2,3-13C3)propanoic acid
CID 170898855
3-(4-anilinoanilino)propanoic acid
CID 54336200
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl](15N)amino](313C)propanoic acid
CID 101257666
bis(butanedioic acid);silane
CID 173419629
butanedioic acid;hydrochloride
CID 87113713
bis(butanedioic acid);carbonic acid
CID 159577506

Frequently Asked Questions

What is the IUPAC name of 3-(fluoroamino)propanoic acid?
The IUPAC name of 3-(fluoroamino)propanoic acid (CID 22665129) is 3-(fluoroamino)propanoic acid.
What is the SMILES notation for 3-(fluoroamino)propanoic acid?
The canonical SMILES for 3-(fluoroamino)propanoic acid is O=C(O)CCNF.
What is the InChIKey of 3-(fluoroamino)propanoic acid?
The InChIKey is LASFZUMWPDIASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6FNO2/c4-5-2-1-3(6)7/h5H,1-2H2,(H,6,7).
What are the key properties of 3-(fluoroamino)propanoic acid?
3-(fluoroamino)propanoic acid has a molecular weight of 107.08 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoroamino)propanoic acid is sourced from PubChem (CID 22665129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).