(2S)-2-aminopropanoic acid;2,2,2-trifluoroacetic acid

C5H8F3NO4 — CID 87940634

IUPAC(2S)-2-aminopropanoic acid;2,2,2-trifluoroacetic acid
SMILESC[C@H](N)C(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C3H7NO2.C2HF3O2/c1-2(4)3(5)6;3-2(4,5)1(6)7/h2H,4H2,1H3,(H,5,6);(H,6,7)/t2-;/m0./s1
InChIKeyJDVPOGGUXYKCQB-DKWTVANSSA-N
MW203.12 g/mol
LogP0.05
Rot. Bonds1

About (2S)-2-aminopropanoic acid;2,2,2-trifluoroacetic acid

(2S)-2-aminopropanoic acid;2,2,2-trifluoroacetic acid (PubChem CID 87940634) has the molecular formula C5H8F3NO4 and a molecular weight of 203.12 g/mol. Its IUPAC name is (2S)-2-aminopropanoic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2S)-2-aminopropanoic acid;2,2,2-trifluoroacetic acid
PubChem CID87940634
Molecular FormulaC5H8F3NO4
Molecular Weight203.12 g/mol
Exact Mass203.04
IUPAC Name(2S)-2-aminopropanoic acid;2,2,2-trifluoroacetic acid
SMILESC[C@H](N)C(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C3H7NO2.C2HF3O2/c1-2(4)3(5)6;3-2(4,5)1(6)7/h2H,4H2,1H3,(H,5,6);(H,6,7)/t2-;/m0./s1
InChIKeyJDVPOGGUXYKCQB-DKWTVANSSA-N
XLogP0.05
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.12
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopropanoic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of (2S)-2-aminopropanoic acid;2,2,2-trifluoroacetic acid (CID 87940634) is (2S)-2-aminopropanoic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2S)-2-aminopropanoic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2S)-2-aminopropanoic acid;2,2,2-trifluoroacetic acid is C[C@H](N)C(=O)O.O=C(O)C(F)(F)F.
What is the InChIKey of (2S)-2-aminopropanoic acid;2,2,2-trifluoroacetic acid?
The InChIKey is JDVPOGGUXYKCQB-DKWTVANSSA-N. The full InChI is InChI=1S/C3H7NO2.C2HF3O2/c1-2(4)3(5)6;3-2(4,5)1(6)7/h2H,4H2,1H3,(H,5,6);(H,6,7)/t2-;/m0./s1.
What are the key properties of (2S)-2-aminopropanoic acid;2,2,2-trifluoroacetic acid?
(2S)-2-aminopropanoic acid;2,2,2-trifluoroacetic acid has a molecular weight of 203.12 g/mol, XLogP of 0.05, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopropanoic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 87940634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).