5-amino-3-(trifluoromethyl)pentanoic acid

C6H10F3NO2 — CID 50989763

IUPAC5-amino-3-(trifluoromethyl)pentanoic acid
SMILESNCCC(CC(=O)O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c7-6(8,9)4(1-2-10)3-5(11)12/h4H,1-3,10H2,(H,11,12)
InChIKeyNBFMNAOCYLBNGU-UHFFFAOYSA-N
MW185.14 g/mol
LogP0.99
Rot. Bonds4

About 5-amino-3-(trifluoromethyl)pentanoic acid

5-amino-3-(trifluoromethyl)pentanoic acid (PubChem CID 50989763) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is 5-amino-3-(trifluoromethyl)pentanoic acid.

Molecular Properties

Compound Name5-amino-3-(trifluoromethyl)pentanoic acid
PubChem CID50989763
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Name5-amino-3-(trifluoromethyl)pentanoic acid
SMILESNCCC(CC(=O)O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c7-6(8,9)4(1-2-10)3-5(11)12/h4H,1-3,10H2,(H,11,12)
InChIKeyNBFMNAOCYLBNGU-UHFFFAOYSA-N
XLogP0.99
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 2769948
CID 2769948
CID 2769949
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CID 19904999
CID 19904999
CID 155978020
CID 155978020
CID 165671331
CID 165671331
CID 134862226
CID 134862226
CID 134862308
CID 134862308
CID 168331031
CID 168331031
CID 168331032
CID 168331032
CID 168331033
CID 168331033

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(trifluoromethyl)pentanoic acid?
The IUPAC name of 5-amino-3-(trifluoromethyl)pentanoic acid (CID 50989763) is 5-amino-3-(trifluoromethyl)pentanoic acid.
What is the SMILES notation for 5-amino-3-(trifluoromethyl)pentanoic acid?
The canonical SMILES for 5-amino-3-(trifluoromethyl)pentanoic acid is NCCC(CC(=O)O)C(F)(F)F.
What is the InChIKey of 5-amino-3-(trifluoromethyl)pentanoic acid?
The InChIKey is NBFMNAOCYLBNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c7-6(8,9)4(1-2-10)3-5(11)12/h4H,1-3,10H2,(H,11,12).
What are the key properties of 5-amino-3-(trifluoromethyl)pentanoic acid?
5-amino-3-(trifluoromethyl)pentanoic acid has a molecular weight of 185.14 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(trifluoromethyl)pentanoic acid is sourced from PubChem (CID 50989763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).