2-[carbamoyl(fluoro)amino]propanoic acid

C4H7FN2O3 — CID 21124021

IUPAC2-[carbamoyl(fluoro)amino]propanoic acid
SMILESCC(C(=O)O)N(F)C(N)=O
InChIInChI=1S/C4H7FN2O3/c1-2(3(8)9)7(5)4(6)10/h2H,1H3,(H2,6,10)(H,8,9)
InChIKeySTQWNZAABFSYFN-UHFFFAOYSA-N
MW150.11 g/mol
LogP-0.28
Rot. Bonds2

About 2-[carbamoyl(fluoro)amino]propanoic acid

2-[carbamoyl(fluoro)amino]propanoic acid (PubChem CID 21124021) has the molecular formula C4H7FN2O3 and a molecular weight of 150.11 g/mol. Its IUPAC name is 2-[carbamoyl(fluoro)amino]propanoic acid.

Molecular Properties

Compound Name2-[carbamoyl(fluoro)amino]propanoic acid
PubChem CID21124021
Molecular FormulaC4H7FN2O3
Molecular Weight150.11 g/mol
Exact Mass150.04
IUPAC Name2-[carbamoyl(fluoro)amino]propanoic acid
SMILESCC(C(=O)O)N(F)C(N)=O
InChIInChI=1S/C4H7FN2O3/c1-2(3(8)9)7(5)4(6)10/h2H,1H3,(H2,6,10)(H,8,9)
InChIKeySTQWNZAABFSYFN-UHFFFAOYSA-N
XLogP-0.28
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.11
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
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-[carbamoyl(fluoro)amino]propanoic acid?
The IUPAC name of 2-[carbamoyl(fluoro)amino]propanoic acid (CID 21124021) is 2-[carbamoyl(fluoro)amino]propanoic acid.
What is the SMILES notation for 2-[carbamoyl(fluoro)amino]propanoic acid?
The canonical SMILES for 2-[carbamoyl(fluoro)amino]propanoic acid is CC(C(=O)O)N(F)C(N)=O.
What is the InChIKey of 2-[carbamoyl(fluoro)amino]propanoic acid?
The InChIKey is STQWNZAABFSYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FN2O3/c1-2(3(8)9)7(5)4(6)10/h2H,1H3,(H2,6,10)(H,8,9).
What are the key properties of 2-[carbamoyl(fluoro)amino]propanoic acid?
2-[carbamoyl(fluoro)amino]propanoic acid has a molecular weight of 150.11 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carbamoyl(fluoro)amino]propanoic acid is sourced from PubChem (CID 21124021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).