(2S)-2,5-diamino-2-(trifluoromethyl)pentanoic acid

C6H11F3N2O2 — CID 15817297

IUPAC(2S)-2,5-diamino-2-(trifluoromethyl)pentanoic acid
SMILESNCCC[C@](N)(C(=O)O)C(F)(F)F
InChIInChI=1S/C6H11F3N2O2/c7-6(8,9)5(11,4(12)13)2-1-3-10/h1-3,10-11H2,(H,12,13)/t5-/m0/s1
InChIKeyAUJCZWDHZDJWQH-YFKPBYRVSA-N
MW200.16 g/mol
LogP0.07
Rot. Bonds4

About (2S)-2,5-diamino-2-(trifluoromethyl)pentanoic acid

(2S)-2,5-diamino-2-(trifluoromethyl)pentanoic acid (PubChem CID 15817297) has the molecular formula C6H11F3N2O2 and a molecular weight of 200.16 g/mol. Its IUPAC name is (2S)-2,5-diamino-2-(trifluoromethyl)pentanoic acid.

Molecular Properties

Compound Name(2S)-2,5-diamino-2-(trifluoromethyl)pentanoic acid
PubChem CID15817297
Molecular FormulaC6H11F3N2O2
Molecular Weight200.16 g/mol
Exact Mass200.08
IUPAC Name(2S)-2,5-diamino-2-(trifluoromethyl)pentanoic acid
SMILESNCCC[C@](N)(C(=O)O)C(F)(F)F
InChIInChI=1S/C6H11F3N2O2/c7-6(8,9)5(11,4(12)13)2-1-3-10/h1-3,10-11H2,(H,12,13)/t5-/m0/s1
InChIKeyAUJCZWDHZDJWQH-YFKPBYRVSA-N
XLogP0.07
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-diamino-2-(trifluoromethyl)pentanoic acid?
The IUPAC name of (2S)-2,5-diamino-2-(trifluoromethyl)pentanoic acid (CID 15817297) is (2S)-2,5-diamino-2-(trifluoromethyl)pentanoic acid.
What is the SMILES notation for (2S)-2,5-diamino-2-(trifluoromethyl)pentanoic acid?
The canonical SMILES for (2S)-2,5-diamino-2-(trifluoromethyl)pentanoic acid is NCCC[C@](N)(C(=O)O)C(F)(F)F.
What is the InChIKey of (2S)-2,5-diamino-2-(trifluoromethyl)pentanoic acid?
The InChIKey is AUJCZWDHZDJWQH-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11F3N2O2/c7-6(8,9)5(11,4(12)13)2-1-3-10/h1-3,10-11H2,(H,12,13)/t5-/m0/s1.
What are the key properties of (2S)-2,5-diamino-2-(trifluoromethyl)pentanoic acid?
(2S)-2,5-diamino-2-(trifluoromethyl)pentanoic acid has a molecular weight of 200.16 g/mol, XLogP of 0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-diamino-2-(trifluoromethyl)pentanoic acid is sourced from PubChem (CID 15817297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).