2-amino-N-(2-hydroxyethyl)propanamide;2,2,2-trifluoroacetic acid

C7H13F3N2O4 — CID 174731851

IUPAC2-amino-N-(2-hydroxyethyl)propanamide;2,2,2-trifluoroacetic acid
SMILESCC(N)C(=O)NCCO.O=C(O)C(F)(F)F
InChIInChI=1S/C5H12N2O2.C2HF3O2/c1-4(6)5(9)7-2-3-8;3-2(4,5)1(6)7/h4,8H,2-3,6H2,1H3,(H,7,9);(H,6,7)
InChIKeyKBGNPSUAVDETIP-UHFFFAOYSA-N
MW246.18 g/mol
LogP-0.92
Rot. Bonds3

About 2-amino-N-(2-hydroxyethyl)propanamide;2,2,2-trifluoroacetic acid

2-amino-N-(2-hydroxyethyl)propanamide;2,2,2-trifluoroacetic acid (PubChem CID 174731851) has the molecular formula C7H13F3N2O4 and a molecular weight of 246.18 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxyethyl)propanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-amino-N-(2-hydroxyethyl)propanamide;2,2,2-trifluoroacetic acid
PubChem CID174731851
Molecular FormulaC7H13F3N2O4
Molecular Weight246.18 g/mol
Exact Mass246.08
IUPAC Name2-amino-N-(2-hydroxyethyl)propanamide;2,2,2-trifluoroacetic acid
SMILESCC(N)C(=O)NCCO.O=C(O)C(F)(F)F
InChIInChI=1S/C5H12N2O2.C2HF3O2/c1-4(6)5(9)7-2-3-8;3-2(4,5)1(6)7/h4,8H,2-3,6H2,1H3,(H,7,9);(H,6,7)
InChIKeyKBGNPSUAVDETIP-UHFFFAOYSA-N
XLogP-0.92
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.18
LogP ≤ 5-0.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

Ala-Ser
CID 1549433
Seryl-alanine
CID 7009579
D,L-Alanylglycylglycine
CID 136714
dl-Alanyl-dl-serine
CID 96821
D-alanyl-D-serine zwitterion
CID 1549438
Alanyl-glycyl-glycine
CID 96798
Ala-Ser zwitterion
CID 1549432
D-alanyl-D-serine
CID 1549439
L-alanyl-L-alanine trifluoroacetate
CID 49796171
H-Gly-Ala-Gly-OH
CID 7021810
N-Acetyl-D-alanylglycine
CID 44384044
(R)-2-((R)-2-Aminopropanamido)propanoic acid 2,2,2-trifluoroacetate
CID 49796169

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxyethyl)propanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-amino-N-(2-hydroxyethyl)propanamide;2,2,2-trifluoroacetic acid (CID 174731851) is 2-amino-N-(2-hydroxyethyl)propanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-amino-N-(2-hydroxyethyl)propanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-amino-N-(2-hydroxyethyl)propanamide;2,2,2-trifluoroacetic acid is CC(N)C(=O)NCCO.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-N-(2-hydroxyethyl)propanamide;2,2,2-trifluoroacetic acid?
The InChIKey is KBGNPSUAVDETIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2.C2HF3O2/c1-4(6)5(9)7-2-3-8;3-2(4,5)1(6)7/h4,8H,2-3,6H2,1H3,(H,7,9);(H,6,7).
What are the key properties of 2-amino-N-(2-hydroxyethyl)propanamide;2,2,2-trifluoroacetic acid?
2-amino-N-(2-hydroxyethyl)propanamide;2,2,2-trifluoroacetic acid has a molecular weight of 246.18 g/mol, XLogP of -0.92, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxyethyl)propanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174731851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).