2-amino-2-(2-fluoropropanoylamino)propanoic acid

C6H11FN2O3 — CID 140553955

IUPAC2-amino-2-(2-fluoropropanoylamino)propanoic acid
SMILESCC(F)C(=O)NC(C)(N)C(=O)O
InChIInChI=1S/C6H11FN2O3/c1-3(7)4(10)9-6(2,8)5(11)12/h3H,8H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyVQWGWCMZQGDTDU-UHFFFAOYSA-N
MW178.16 g/mol
LogP-0.78
Rot. Bonds3

About 2-amino-2-(2-fluoropropanoylamino)propanoic acid

2-amino-2-(2-fluoropropanoylamino)propanoic acid (PubChem CID 140553955) has the molecular formula C6H11FN2O3 and a molecular weight of 178.16 g/mol. Its IUPAC name is 2-amino-2-(2-fluoropropanoylamino)propanoic acid.

Molecular Properties

Compound Name2-amino-2-(2-fluoropropanoylamino)propanoic acid
PubChem CID140553955
Molecular FormulaC6H11FN2O3
Molecular Weight178.16 g/mol
Exact Mass178.08
IUPAC Name2-amino-2-(2-fluoropropanoylamino)propanoic acid
SMILESCC(F)C(=O)NC(C)(N)C(=O)O
InChIInChI=1S/C6H11FN2O3/c1-3(7)4(10)9-6(2,8)5(11)12/h3H,8H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyVQWGWCMZQGDTDU-UHFFFAOYSA-N
XLogP-0.78
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-fluoropropanoylamino)propanoic acid?
The IUPAC name of 2-amino-2-(2-fluoropropanoylamino)propanoic acid (CID 140553955) is 2-amino-2-(2-fluoropropanoylamino)propanoic acid.
What is the SMILES notation for 2-amino-2-(2-fluoropropanoylamino)propanoic acid?
The canonical SMILES for 2-amino-2-(2-fluoropropanoylamino)propanoic acid is CC(F)C(=O)NC(C)(N)C(=O)O.
What is the InChIKey of 2-amino-2-(2-fluoropropanoylamino)propanoic acid?
The InChIKey is VQWGWCMZQGDTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2O3/c1-3(7)4(10)9-6(2,8)5(11)12/h3H,8H2,1-2H3,(H,9,10)(H,11,12).
What are the key properties of 2-amino-2-(2-fluoropropanoylamino)propanoic acid?
2-amino-2-(2-fluoropropanoylamino)propanoic acid has a molecular weight of 178.16 g/mol, XLogP of -0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-fluoropropanoylamino)propanoic acid is sourced from PubChem (CID 140553955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).