5-amino-2-(difluoromethyl)pentanoic acid

C6H11F2NO2 — CID 58857122

IUPAC5-amino-2-(difluoromethyl)pentanoic acid
SMILESNCCCC(C(=O)O)C(F)F
InChIInChI=1S/C6H11F2NO2/c7-5(8)4(6(10)11)2-1-3-9/h4-5H,1-3,9H2,(H,10,11)
InChIKeyUXXPACJPAPWMAN-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.69
Rot. Bonds5

About 5-amino-2-(difluoromethyl)pentanoic acid

5-amino-2-(difluoromethyl)pentanoic acid (PubChem CID 58857122) has the molecular formula C6H11F2NO2 and a molecular weight of 167.16 g/mol. Its IUPAC name is 5-amino-2-(difluoromethyl)pentanoic acid.

Molecular Properties

Compound Name5-amino-2-(difluoromethyl)pentanoic acid
PubChem CID58857122
Molecular FormulaC6H11F2NO2
Molecular Weight167.16 g/mol
Exact Mass167.08
IUPAC Name5-amino-2-(difluoromethyl)pentanoic acid
SMILESNCCCC(C(=O)O)C(F)F
InChIInChI=1S/C6H11F2NO2/c7-5(8)4(6(10)11)2-1-3-9/h4-5H,1-3,9H2,(H,10,11)
InChIKeyUXXPACJPAPWMAN-UHFFFAOYSA-N
XLogP0.69
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(difluoromethyl)pentanoic acid?
The IUPAC name of 5-amino-2-(difluoromethyl)pentanoic acid (CID 58857122) is 5-amino-2-(difluoromethyl)pentanoic acid.
What is the SMILES notation for 5-amino-2-(difluoromethyl)pentanoic acid?
The canonical SMILES for 5-amino-2-(difluoromethyl)pentanoic acid is NCCCC(C(=O)O)C(F)F.
What is the InChIKey of 5-amino-2-(difluoromethyl)pentanoic acid?
The InChIKey is UXXPACJPAPWMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2/c7-5(8)4(6(10)11)2-1-3-9/h4-5H,1-3,9H2,(H,10,11).
What are the key properties of 5-amino-2-(difluoromethyl)pentanoic acid?
5-amino-2-(difluoromethyl)pentanoic acid has a molecular weight of 167.16 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(difluoromethyl)pentanoic acid is sourced from PubChem (CID 58857122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).