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

C7H13F3N2O4 — CID 86677924

IUPAC(2R)-2-amino-N-(2-hydroxyethyl)propanamide;2,2,2-trifluoroacetic acid
SMILESC[C@@H](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)/t4-;/m1./s1
InChIKeyKBGNPSUAVDETIP-PGMHMLKASA-N
MW246.18 g/mol
LogP-0.92
Rot. Bonds3

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

(2R)-2-amino-N-(2-hydroxyethyl)propanamide;2,2,2-trifluoroacetic acid (PubChem CID 86677924) has the molecular formula C7H13F3N2O4 and a molecular weight of 246.18 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-hydroxyethyl)propanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-hydroxyethyl)propanamide;2,2,2-trifluoroacetic acid
PubChem CID86677924
Molecular FormulaC7H13F3N2O4
Molecular Weight246.18 g/mol
Exact Mass246.08
IUPAC Name(2R)-2-amino-N-(2-hydroxyethyl)propanamide;2,2,2-trifluoroacetic acid
SMILESC[C@@H](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)/t4-;/m1./s1
InChIKeyKBGNPSUAVDETIP-PGMHMLKASA-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

4-(2-aminopropanoylamino)butanoic acid;2,2,2-trifluoroacetic acid
CID 175163069
5-(2-aminopropanoylamino)pentanoic acid;2,2,2-trifluoroacetic acid
CID 139022815
(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride
CID 18651575
(2R)-2-amino-N-(4-hydroxybutyl)propanamide
CID 106842086
2-amino-N-(2,2,2-trifluoroethyl)propanamide
CID 24690825
2-(methylamino)ethanol;2,2,2-trifluoroacetic acid
CID 173051239
(2R)-2-amino-N-(2-fluoroethyl)propanamide
CID 90216538
2-amino-N,N'-bis(2-hydroxyethyl)propanediamide
CID 173250932
3-amino-N-(2-hydroxyethyl)-2-methylpropanamide
CID 54555473
CID 86589108
CID 86589108
3-(2-aminopropanoylamino)-2,2-dimethylpropanoic acid
CID 115427893
2-amino-N-(2-bromo-2,2-difluoroethyl)propanamide
CID 130551934

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-hydroxyethyl)propanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (2R)-2-amino-N-(2-hydroxyethyl)propanamide;2,2,2-trifluoroacetic acid (CID 86677924) is (2R)-2-amino-N-(2-hydroxyethyl)propanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2R)-2-amino-N-(2-hydroxyethyl)propanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2R)-2-amino-N-(2-hydroxyethyl)propanamide;2,2,2-trifluoroacetic acid is C[C@@H](N)C(=O)NCCO.O=C(O)C(F)(F)F.
What is the InChIKey of (2R)-2-amino-N-(2-hydroxyethyl)propanamide;2,2,2-trifluoroacetic acid?
The InChIKey is KBGNPSUAVDETIP-PGMHMLKASA-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)/t4-;/m1./s1.
What are the key properties of (2R)-2-amino-N-(2-hydroxyethyl)propanamide;2,2,2-trifluoroacetic acid?
(2R)-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 (2R)-2-amino-N-(2-hydroxyethyl)propanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 86677924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).