4-[fluoro(methyl)amino]butanoic acid

C5H10FNO2 — CID 142524263

IUPAC4-[fluoro(methyl)amino]butanoic acid
SMILESCN(F)CCCC(=O)O
InChIInChI=1S/C5H10FNO2/c1-7(6)4-2-3-5(8)9/h2-4H2,1H3,(H,8,9)
InChIKeyCSDIQWCFJWLBFY-UHFFFAOYSA-N
MW135.14 g/mol
LogP0.67
Rot. Bonds4

About 4-[fluoro(methyl)amino]butanoic acid

4-[fluoro(methyl)amino]butanoic acid (PubChem CID 142524263) has the molecular formula C5H10FNO2 and a molecular weight of 135.14 g/mol. Its IUPAC name is 4-[fluoro(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[fluoro(methyl)amino]butanoic acid
PubChem CID142524263
Molecular FormulaC5H10FNO2
Molecular Weight135.14 g/mol
Exact Mass135.07
IUPAC Name4-[fluoro(methyl)amino]butanoic acid
SMILESCN(F)CCCC(=O)O
InChIInChI=1S/C5H10FNO2/c1-7(6)4-2-3-5(8)9/h2-4H2,1H3,(H,8,9)
InChIKeyCSDIQWCFJWLBFY-UHFFFAOYSA-N
XLogP0.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.14
LogP ≤ 50.67
H-Bond Donors ≤ 51
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 4-[fluoro(methyl)amino]butanoic acid?
The IUPAC name of 4-[fluoro(methyl)amino]butanoic acid (CID 142524263) is 4-[fluoro(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[fluoro(methyl)amino]butanoic acid?
The canonical SMILES for 4-[fluoro(methyl)amino]butanoic acid is CN(F)CCCC(=O)O.
What is the InChIKey of 4-[fluoro(methyl)amino]butanoic acid?
The InChIKey is CSDIQWCFJWLBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO2/c1-7(6)4-2-3-5(8)9/h2-4H2,1H3,(H,8,9).
What are the key properties of 4-[fluoro(methyl)amino]butanoic acid?
4-[fluoro(methyl)amino]butanoic acid has a molecular weight of 135.14 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[fluoro(methyl)amino]butanoic acid is sourced from PubChem (CID 142524263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).