5-fluoro-2-(methylamino)pentanoic acid

C6H12FNO2 — CID 171397859

IUPAC5-fluoro-2-(methylamino)pentanoic acid
SMILESCNC(CCCF)C(=O)O
InChIInChI=1S/C6H12FNO2/c1-8-5(6(9)10)3-2-4-7/h5,8H,2-4H2,1H3,(H,9,10)
InChIKeyWVLDTKMZCCSYDS-UHFFFAOYSA-N
MW149.16 g/mol
LogP0.41
Rot. Bonds5

About 5-fluoro-2-(methylamino)pentanoic acid

5-fluoro-2-(methylamino)pentanoic acid (PubChem CID 171397859) has the molecular formula C6H12FNO2 and a molecular weight of 149.16 g/mol. Its IUPAC name is 5-fluoro-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name5-fluoro-2-(methylamino)pentanoic acid
PubChem CID171397859
Molecular FormulaC6H12FNO2
Molecular Weight149.16 g/mol
Exact Mass149.09
IUPAC Name5-fluoro-2-(methylamino)pentanoic acid
SMILESCNC(CCCF)C(=O)O
InChIInChI=1S/C6H12FNO2/c1-8-5(6(9)10)3-2-4-7/h5,8H,2-4H2,1H3,(H,9,10)
InChIKeyWVLDTKMZCCSYDS-UHFFFAOYSA-N
XLogP0.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(methylamino)pentanoic acid?
The IUPAC name of 5-fluoro-2-(methylamino)pentanoic acid (CID 171397859) is 5-fluoro-2-(methylamino)pentanoic acid.
What is the SMILES notation for 5-fluoro-2-(methylamino)pentanoic acid?
The canonical SMILES for 5-fluoro-2-(methylamino)pentanoic acid is CNC(CCCF)C(=O)O.
What is the InChIKey of 5-fluoro-2-(methylamino)pentanoic acid?
The InChIKey is WVLDTKMZCCSYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2/c1-8-5(6(9)10)3-2-4-7/h5,8H,2-4H2,1H3,(H,9,10).
What are the key properties of 5-fluoro-2-(methylamino)pentanoic acid?
5-fluoro-2-(methylamino)pentanoic acid has a molecular weight of 149.16 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(methylamino)pentanoic acid is sourced from PubChem (CID 171397859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).