(2S,3S)-2-(aminomethyl)-4,4,4-trifluoro-3-hydroxybutanoic acid

C5H8F3NO3 — CID 86654985

IUPAC(2S,3S)-2-(aminomethyl)-4,4,4-trifluoro-3-hydroxybutanoic acid
SMILESNCC(C(=O)O)[C@H](O)C(F)(F)F
InChIInChI=1S/C5H8F3NO3/c6-5(7,8)3(10)2(1-9)4(11)12/h2-3,10H,1,9H2,(H,11,12)/t2?,3-/m0/s1
InChIKeyOAJNOWUAMHYMCY-NFJMKROFSA-N
MW187.12 g/mol
LogP-0.43
Rot. Bonds3

About (2S,3S)-2-(aminomethyl)-4,4,4-trifluoro-3-hydroxybutanoic acid

(2S,3S)-2-(aminomethyl)-4,4,4-trifluoro-3-hydroxybutanoic acid (PubChem CID 86654985) has the molecular formula C5H8F3NO3 and a molecular weight of 187.12 g/mol. Its IUPAC name is (2S,3S)-2-(aminomethyl)-4,4,4-trifluoro-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-(aminomethyl)-4,4,4-trifluoro-3-hydroxybutanoic acid
PubChem CID86654985
Molecular FormulaC5H8F3NO3
Molecular Weight187.12 g/mol
Exact Mass187.05
IUPAC Name(2S,3S)-2-(aminomethyl)-4,4,4-trifluoro-3-hydroxybutanoic acid
SMILESNCC(C(=O)O)[C@H](O)C(F)(F)F
InChIInChI=1S/C5H8F3NO3/c6-5(7,8)3(10)2(1-9)4(11)12/h2-3,10H,1,9H2,(H,11,12)/t2?,3-/m0/s1
InChIKeyOAJNOWUAMHYMCY-NFJMKROFSA-N
XLogP-0.43
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.12
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(aminomethyl)-4,4,4-trifluoro-3-hydroxybutanoic acid?
The IUPAC name of (2S,3S)-2-(aminomethyl)-4,4,4-trifluoro-3-hydroxybutanoic acid (CID 86654985) is (2S,3S)-2-(aminomethyl)-4,4,4-trifluoro-3-hydroxybutanoic acid.
What is the SMILES notation for (2S,3S)-2-(aminomethyl)-4,4,4-trifluoro-3-hydroxybutanoic acid?
The canonical SMILES for (2S,3S)-2-(aminomethyl)-4,4,4-trifluoro-3-hydroxybutanoic acid is NCC(C(=O)O)[C@H](O)C(F)(F)F.
What is the InChIKey of (2S,3S)-2-(aminomethyl)-4,4,4-trifluoro-3-hydroxybutanoic acid?
The InChIKey is OAJNOWUAMHYMCY-NFJMKROFSA-N. The full InChI is InChI=1S/C5H8F3NO3/c6-5(7,8)3(10)2(1-9)4(11)12/h2-3,10H,1,9H2,(H,11,12)/t2?,3-/m0/s1.
What are the key properties of (2S,3S)-2-(aminomethyl)-4,4,4-trifluoro-3-hydroxybutanoic acid?
(2S,3S)-2-(aminomethyl)-4,4,4-trifluoro-3-hydroxybutanoic acid has a molecular weight of 187.12 g/mol, XLogP of -0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(aminomethyl)-4,4,4-trifluoro-3-hydroxybutanoic acid is sourced from PubChem (CID 86654985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).