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

C7H10F6N2O5 — CID 87769426

IUPAC(2S)-2-aminopropanamide;bis(2,2,2-trifluoroacetic acid)
SMILESC[C@H](N)C(N)=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C3H8N2O.2C2HF3O2/c1-2(4)3(5)6;2*3-2(4,5)1(6)7/h2H,4H2,1H3,(H2,5,6);2*(H,6,7)/t2-;;/m0../s1
InChIKeyINANPHSHJSTBNS-JIZZDEOASA-N
MW316.15 g/mol
LogP0.09
Rot. Bonds1

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

(2S)-2-aminopropanamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 87769426) has the molecular formula C7H10F6N2O5 and a molecular weight of 316.15 g/mol. Its IUPAC name is (2S)-2-aminopropanamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name(2S)-2-aminopropanamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID87769426
Molecular FormulaC7H10F6N2O5
Molecular Weight316.15 g/mol
Exact Mass316.05
IUPAC Name(2S)-2-aminopropanamide;bis(2,2,2-trifluoroacetic acid)
SMILESC[C@H](N)C(N)=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C3H8N2O.2C2HF3O2/c1-2(4)3(5)6;2*3-2(4,5)1(6)7/h2H,4H2,1H3,(H2,5,6);2*(H,6,7)/t2-;;/m0../s1
InChIKeyINANPHSHJSTBNS-JIZZDEOASA-N
XLogP0.09
TPSA143.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 50.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopropanamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of (2S)-2-aminopropanamide;bis(2,2,2-trifluoroacetic acid) (CID 87769426) is (2S)-2-aminopropanamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for (2S)-2-aminopropanamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for (2S)-2-aminopropanamide;bis(2,2,2-trifluoroacetic acid) is C[C@H](N)C(N)=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of (2S)-2-aminopropanamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is INANPHSHJSTBNS-JIZZDEOASA-N. The full InChI is InChI=1S/C3H8N2O.2C2HF3O2/c1-2(4)3(5)6;2*3-2(4,5)1(6)7/h2H,4H2,1H3,(H2,5,6);2*(H,6,7)/t2-;;/m0../s1.
What are the key properties of (2S)-2-aminopropanamide;bis(2,2,2-trifluoroacetic acid)?
(2S)-2-aminopropanamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 316.15 g/mol, XLogP of 0.09, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopropanamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 87769426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).