(4S)-4-(aminomethyl)-5,5,5-trifluoro-4-hydroxypentanoic acid

C6H10F3NO3 — CID 129450683

IUPAC(4S)-4-(aminomethyl)-5,5,5-trifluoro-4-hydroxypentanoic acid
SMILESNC[C@@](O)(CCC(=O)O)C(F)(F)F
InChIInChI=1S/C6H10F3NO3/c7-6(8,9)5(13,3-10)2-1-4(11)12/h13H,1-3,10H2,(H,11,12)/t5-/m0/s1
InChIKeyARFBENUQZXETOE-YFKPBYRVSA-N
MW201.14 g/mol
LogP0.10
Rot. Bonds4

About (4S)-4-(aminomethyl)-5,5,5-trifluoro-4-hydroxypentanoic acid

(4S)-4-(aminomethyl)-5,5,5-trifluoro-4-hydroxypentanoic acid (PubChem CID 129450683) has the molecular formula C6H10F3NO3 and a molecular weight of 201.14 g/mol. Its IUPAC name is (4S)-4-(aminomethyl)-5,5,5-trifluoro-4-hydroxypentanoic acid.

Molecular Properties

Compound Name(4S)-4-(aminomethyl)-5,5,5-trifluoro-4-hydroxypentanoic acid
PubChem CID129450683
Molecular FormulaC6H10F3NO3
Molecular Weight201.14 g/mol
Exact Mass201.06
IUPAC Name(4S)-4-(aminomethyl)-5,5,5-trifluoro-4-hydroxypentanoic acid
SMILESNC[C@@](O)(CCC(=O)O)C(F)(F)F
InChIInChI=1S/C6H10F3NO3/c7-6(8,9)5(13,3-10)2-1-4(11)12/h13H,1-3,10H2,(H,11,12)/t5-/m0/s1
InChIKeyARFBENUQZXETOE-YFKPBYRVSA-N
XLogP0.10
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(aminomethyl)-5,5,5-trifluoro-4-hydroxypentanoic acid?
The IUPAC name of (4S)-4-(aminomethyl)-5,5,5-trifluoro-4-hydroxypentanoic acid (CID 129450683) is (4S)-4-(aminomethyl)-5,5,5-trifluoro-4-hydroxypentanoic acid.
What is the SMILES notation for (4S)-4-(aminomethyl)-5,5,5-trifluoro-4-hydroxypentanoic acid?
The canonical SMILES for (4S)-4-(aminomethyl)-5,5,5-trifluoro-4-hydroxypentanoic acid is NC[C@@](O)(CCC(=O)O)C(F)(F)F.
What is the InChIKey of (4S)-4-(aminomethyl)-5,5,5-trifluoro-4-hydroxypentanoic acid?
The InChIKey is ARFBENUQZXETOE-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10F3NO3/c7-6(8,9)5(13,3-10)2-1-4(11)12/h13H,1-3,10H2,(H,11,12)/t5-/m0/s1.
What are the key properties of (4S)-4-(aminomethyl)-5,5,5-trifluoro-4-hydroxypentanoic acid?
(4S)-4-(aminomethyl)-5,5,5-trifluoro-4-hydroxypentanoic acid has a molecular weight of 201.14 g/mol, XLogP of 0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(aminomethyl)-5,5,5-trifluoro-4-hydroxypentanoic acid is sourced from PubChem (CID 129450683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).