3-[carbonofluoridoyl(methyl)amino]propanoic acid

C5H8FNO3 — CID 130266766

IUPAC3-[carbonofluoridoyl(methyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)F
InChIInChI=1S/C5H8FNO3/c1-7(5(6)10)3-2-4(8)9/h2-3H2,1H3,(H,8,9)
InChIKeyDNTCWZGCBLFUPL-UHFFFAOYSA-N
MW149.12 g/mol
LogP0.48
Rot. Bonds3

About 3-[carbonofluoridoyl(methyl)amino]propanoic acid

3-[carbonofluoridoyl(methyl)amino]propanoic acid (PubChem CID 130266766) has the molecular formula C5H8FNO3 and a molecular weight of 149.12 g/mol. Its IUPAC name is 3-[carbonofluoridoyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[carbonofluoridoyl(methyl)amino]propanoic acid
PubChem CID130266766
Molecular FormulaC5H8FNO3
Molecular Weight149.12 g/mol
Exact Mass149.05
IUPAC Name3-[carbonofluoridoyl(methyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)F
InChIInChI=1S/C5H8FNO3/c1-7(5(6)10)3-2-4(8)9/h2-3H2,1H3,(H,8,9)
InChIKeyDNTCWZGCBLFUPL-UHFFFAOYSA-N
XLogP0.48
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.12
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[carbonofluoridoyl(methyl)amino]propanoic acid?
The IUPAC name of 3-[carbonofluoridoyl(methyl)amino]propanoic acid (CID 130266766) is 3-[carbonofluoridoyl(methyl)amino]propanoic acid.
What is the SMILES notation for 3-[carbonofluoridoyl(methyl)amino]propanoic acid?
The canonical SMILES for 3-[carbonofluoridoyl(methyl)amino]propanoic acid is CN(CCC(=O)O)C(=O)F.
What is the InChIKey of 3-[carbonofluoridoyl(methyl)amino]propanoic acid?
The InChIKey is DNTCWZGCBLFUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO3/c1-7(5(6)10)3-2-4(8)9/h2-3H2,1H3,(H,8,9).
What are the key properties of 3-[carbonofluoridoyl(methyl)amino]propanoic acid?
3-[carbonofluoridoyl(methyl)amino]propanoic acid has a molecular weight of 149.12 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[carbonofluoridoyl(methyl)amino]propanoic acid is sourced from PubChem (CID 130266766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).