5-amino-2-(fluoromethyl)pentanoate

C6H11FNO2- — CID 145260121

IUPAC5-amino-2-(fluoromethyl)pentanoate
SMILESNCCCC(CF)C(=O)[O-]
InChIInChI=1S/C6H12FNO2/c7-4-5(6(9)10)2-1-3-8/h5H,1-4,8H2,(H,9,10)/p-1
InChIKeyQGJIXBVBCGAMFO-UHFFFAOYSA-M
MW148.16 g/mol
LogP-0.94
Rot. Bonds5

About 5-amino-2-(fluoromethyl)pentanoate

5-amino-2-(fluoromethyl)pentanoate (PubChem CID 145260121) has the molecular formula C6H11FNO2- and a molecular weight of 148.16 g/mol. Its IUPAC name is 5-amino-2-(fluoromethyl)pentanoate.

Molecular Properties

Compound Name5-amino-2-(fluoromethyl)pentanoate
PubChem CID145260121
Molecular FormulaC6H11FNO2-
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Name5-amino-2-(fluoromethyl)pentanoate
SMILESNCCCC(CF)C(=O)[O-]
InChIInChI=1S/C6H12FNO2/c7-4-5(6(9)10)2-1-3-8/h5H,1-4,8H2,(H,9,10)/p-1
InChIKeyQGJIXBVBCGAMFO-UHFFFAOYSA-M
XLogP-0.94
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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lithium (2S)-2,6-diaminohexanoate
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dipotassium bis((2S)-2,6-diaminohexanoate)
CID 142684658
4-amino-2-(fluoromethyl)butanoic acid
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CID 22811750
gallium 2-ethylhexanoate
CID 21118224
tetrakis(2-ethylhexanoate);tin(4+)
CID 22506300
bis(2-ethylhexanoate);zirconium(2+)
CID 13388286
CID 21474875
CID 21474875

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(fluoromethyl)pentanoate?
The IUPAC name of 5-amino-2-(fluoromethyl)pentanoate (CID 145260121) is 5-amino-2-(fluoromethyl)pentanoate.
What is the SMILES notation for 5-amino-2-(fluoromethyl)pentanoate?
The canonical SMILES for 5-amino-2-(fluoromethyl)pentanoate is NCCCC(CF)C(=O)[O-].
What is the InChIKey of 5-amino-2-(fluoromethyl)pentanoate?
The InChIKey is QGJIXBVBCGAMFO-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H12FNO2/c7-4-5(6(9)10)2-1-3-8/h5H,1-4,8H2,(H,9,10)/p-1.
What are the key properties of 5-amino-2-(fluoromethyl)pentanoate?
5-amino-2-(fluoromethyl)pentanoate has a molecular weight of 148.16 g/mol, XLogP of -0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(fluoromethyl)pentanoate is sourced from PubChem (CID 145260121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).