2-amino-3-hydroxy-N-(2,2,2-trifluoroethyl)propanamide;2,2,2-trifluoroacetic acid

C7H10F6N2O4 — CID 171925640

IUPAC2-amino-3-hydroxy-N-(2,2,2-trifluoroethyl)propanamide;2,2,2-trifluoroacetic acid
SMILESNC(CO)C(=O)NCC(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C5H9F3N2O2.C2HF3O2/c6-5(7,8)2-10-4(12)3(9)1-11;3-2(4,5)1(6)7/h3,11H,1-2,9H2,(H,10,12);(H,6,7)
InChIKeyNEJLCMFGFPCBCR-UHFFFAOYSA-N
MW300.16 g/mol
LogP-0.38
Rot. Bonds3

About 2-amino-3-hydroxy-N-(2,2,2-trifluoroethyl)propanamide;2,2,2-trifluoroacetic acid

2-amino-3-hydroxy-N-(2,2,2-trifluoroethyl)propanamide;2,2,2-trifluoroacetic acid (PubChem CID 171925640) has the molecular formula C7H10F6N2O4 and a molecular weight of 300.16 g/mol. Its IUPAC name is 2-amino-3-hydroxy-N-(2,2,2-trifluoroethyl)propanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-amino-3-hydroxy-N-(2,2,2-trifluoroethyl)propanamide;2,2,2-trifluoroacetic acid
PubChem CID171925640
Molecular FormulaC7H10F6N2O4
Molecular Weight300.16 g/mol
Exact Mass300.05
IUPAC Name2-amino-3-hydroxy-N-(2,2,2-trifluoroethyl)propanamide;2,2,2-trifluoroacetic acid
SMILESNC(CO)C(=O)NCC(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C5H9F3N2O2.C2HF3O2/c6-5(7,8)2-10-4(12)3(9)1-11;3-2(4,5)1(6)7/h3,11H,1-2,9H2,(H,10,12);(H,6,7)
InChIKeyNEJLCMFGFPCBCR-UHFFFAOYSA-N
XLogP-0.38
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-N-(2,2,2-trifluoroethyl)propanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-amino-3-hydroxy-N-(2,2,2-trifluoroethyl)propanamide;2,2,2-trifluoroacetic acid (CID 171925640) is 2-amino-3-hydroxy-N-(2,2,2-trifluoroethyl)propanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-amino-3-hydroxy-N-(2,2,2-trifluoroethyl)propanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-amino-3-hydroxy-N-(2,2,2-trifluoroethyl)propanamide;2,2,2-trifluoroacetic acid is NC(CO)C(=O)NCC(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-3-hydroxy-N-(2,2,2-trifluoroethyl)propanamide;2,2,2-trifluoroacetic acid?
The InChIKey is NEJLCMFGFPCBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O2.C2HF3O2/c6-5(7,8)2-10-4(12)3(9)1-11;3-2(4,5)1(6)7/h3,11H,1-2,9H2,(H,10,12);(H,6,7).
What are the key properties of 2-amino-3-hydroxy-N-(2,2,2-trifluoroethyl)propanamide;2,2,2-trifluoroacetic acid?
2-amino-3-hydroxy-N-(2,2,2-trifluoroethyl)propanamide;2,2,2-trifluoroacetic acid has a molecular weight of 300.16 g/mol, XLogP of -0.38, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-N-(2,2,2-trifluoroethyl)propanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171925640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).