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

C5H9F3N2O3 — CID 87620167

IUPAC(2S)-2-aminopropanamide;2,2,2-trifluoroacetic acid
SMILESC[C@H](N)C(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C3H8N2O.C2HF3O2/c1-2(4)3(5)6;3-2(4,5)1(6)7/h2H,4H2,1H3,(H2,5,6);(H,6,7)/t2-;/m0./s1
InChIKeyJTOSELXEWUMKQP-DKWTVANSSA-N
MW202.13 g/mol
LogP-0.55
Rot. Bonds1

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

(2S)-2-aminopropanamide;2,2,2-trifluoroacetic acid (PubChem CID 87620167) has the molecular formula C5H9F3N2O3 and a molecular weight of 202.13 g/mol. Its IUPAC name is (2S)-2-aminopropanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2S)-2-aminopropanamide;2,2,2-trifluoroacetic acid
PubChem CID87620167
Molecular FormulaC5H9F3N2O3
Molecular Weight202.13 g/mol
Exact Mass202.06
IUPAC Name(2S)-2-aminopropanamide;2,2,2-trifluoroacetic acid
SMILESC[C@H](N)C(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C3H8N2O.C2HF3O2/c1-2(4)3(5)6;3-2(4,5)1(6)7/h2H,4H2,1H3,(H2,5,6);(H,6,7)/t2-;/m0./s1
InChIKeyJTOSELXEWUMKQP-DKWTVANSSA-N
XLogP-0.55
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.13
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopropanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (2S)-2-aminopropanamide;2,2,2-trifluoroacetic acid (CID 87620167) is (2S)-2-aminopropanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2S)-2-aminopropanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2S)-2-aminopropanamide;2,2,2-trifluoroacetic acid is C[C@H](N)C(N)=O.O=C(O)C(F)(F)F.
What is the InChIKey of (2S)-2-aminopropanamide;2,2,2-trifluoroacetic acid?
The InChIKey is JTOSELXEWUMKQP-DKWTVANSSA-N. The full InChI is InChI=1S/C3H8N2O.C2HF3O2/c1-2(4)3(5)6;3-2(4,5)1(6)7/h2H,4H2,1H3,(H2,5,6);(H,6,7)/t2-;/m0./s1.
What are the key properties of (2S)-2-aminopropanamide;2,2,2-trifluoroacetic acid?
(2S)-2-aminopropanamide;2,2,2-trifluoroacetic acid has a molecular weight of 202.13 g/mol, XLogP of -0.55, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopropanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 87620167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).