2-(fluorocarbamoylamino)propanoic acid

C4H7FN2O3 — CID 71437040

IUPAC2-(fluorocarbamoylamino)propanoic acid
SMILESCC(NC(=O)NF)C(=O)O
InChIInChI=1S/C4H7FN2O3/c1-2(3(8)9)6-4(10)7-5/h2H,1H3,(H,8,9)(H2,6,7,10)
InChIKeyVKCDDNUJYACHOI-UHFFFAOYSA-N
MW150.11 g/mol
LogP-0.36
Rot. Bonds2

About 2-(fluorocarbamoylamino)propanoic acid

2-(fluorocarbamoylamino)propanoic acid (PubChem CID 71437040) has the molecular formula C4H7FN2O3 and a molecular weight of 150.11 g/mol. Its IUPAC name is 2-(fluorocarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-(fluorocarbamoylamino)propanoic acid
PubChem CID71437040
Molecular FormulaC4H7FN2O3
Molecular Weight150.11 g/mol
Exact Mass150.04
IUPAC Name2-(fluorocarbamoylamino)propanoic acid
SMILESCC(NC(=O)NF)C(=O)O
InChIInChI=1S/C4H7FN2O3/c1-2(3(8)9)6-4(10)7-5/h2H,1H3,(H,8,9)(H2,6,7,10)
InChIKeyVKCDDNUJYACHOI-UHFFFAOYSA-N
XLogP-0.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.11
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(fluorocarbamoylamino)propanoic acid?
The IUPAC name of 2-(fluorocarbamoylamino)propanoic acid (CID 71437040) is 2-(fluorocarbamoylamino)propanoic acid.
What is the SMILES notation for 2-(fluorocarbamoylamino)propanoic acid?
The canonical SMILES for 2-(fluorocarbamoylamino)propanoic acid is CC(NC(=O)NF)C(=O)O.
What is the InChIKey of 2-(fluorocarbamoylamino)propanoic acid?
The InChIKey is VKCDDNUJYACHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FN2O3/c1-2(3(8)9)6-4(10)7-5/h2H,1H3,(H,8,9)(H2,6,7,10).
What are the key properties of 2-(fluorocarbamoylamino)propanoic acid?
2-(fluorocarbamoylamino)propanoic acid has a molecular weight of 150.11 g/mol, XLogP of -0.36, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluorocarbamoylamino)propanoic acid is sourced from PubChem (CID 71437040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).