(2R)-2-[(2,2,2-trifluoroacetyl)amino]propanamide

C5H7F3N2O2 — CID 87782800

IUPAC(2R)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
SMILESC[C@@H](NC(=O)C(F)(F)F)C(N)=O
InChIInChI=1S/C5H7F3N2O2/c1-2(3(9)11)10-4(12)5(6,7)8/h2H,1H3,(H2,9,11)(H,10,12)/t2-/m1/s1
InChIKeyGBTQJYMCCOBOJP-UWTATZPHSA-N
MW184.12 g/mol
LogP-0.46
Rot. Bonds2

About (2R)-2-[(2,2,2-trifluoroacetyl)amino]propanamide

(2R)-2-[(2,2,2-trifluoroacetyl)amino]propanamide (PubChem CID 87782800) has the molecular formula C5H7F3N2O2 and a molecular weight of 184.12 g/mol. Its IUPAC name is (2R)-2-[(2,2,2-trifluoroacetyl)amino]propanamide.

Molecular Properties

Compound Name(2R)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
PubChem CID87782800
Molecular FormulaC5H7F3N2O2
Molecular Weight184.12 g/mol
Exact Mass184.05
IUPAC Name(2R)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
SMILESC[C@@H](NC(=O)C(F)(F)F)C(N)=O
InChIInChI=1S/C5H7F3N2O2/c1-2(3(9)11)10-4(12)5(6,7)8/h2H,1H3,(H2,9,11)(H,10,12)/t2-/m1/s1
InChIKeyGBTQJYMCCOBOJP-UWTATZPHSA-N
XLogP-0.46
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.12
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

L-Alanylglycinamide
CID 7019037
Glycyl-l-alaninamide
CID 7019077
2-((1-Hydroxyethylidene)amino)-N-methylpropanimidic acid
CID 141892
2-Acetamidopropanamide
CID 152381
2-amino-N-(2,2,2-trifluoroethyl)propanamide
CID 24690825
N-Acetylalanyl-N-methylamide
CID 5484387
(S)-2-Acetamidopropanamide
CID 6950965
2-amino-N-(2,2,2-trifluoroethyl)propanamide hydrochloride
CID 45791817
2,2,2-trifluoro-N-[(2S)-1-oxopropan-2-yl]acetamide
CID 49837408
2,2,2-trifluoro-N-(1-oxopropan-2-yl)acetamide
CID 75300381
3-(Trifluoromethyl)piperazin-2-one
CID 82597592
N1-methyl-N2-(2,2,2-trifluoroethyl)oxalamide
CID 45584194

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
The IUPAC name of (2R)-2-[(2,2,2-trifluoroacetyl)amino]propanamide (CID 87782800) is (2R)-2-[(2,2,2-trifluoroacetyl)amino]propanamide.
What is the SMILES notation for (2R)-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
The canonical SMILES for (2R)-2-[(2,2,2-trifluoroacetyl)amino]propanamide is C[C@@H](NC(=O)C(F)(F)F)C(N)=O.
What is the InChIKey of (2R)-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
The InChIKey is GBTQJYMCCOBOJP-UWTATZPHSA-N. The full InChI is InChI=1S/C5H7F3N2O2/c1-2(3(9)11)10-4(12)5(6,7)8/h2H,1H3,(H2,9,11)(H,10,12)/t2-/m1/s1.
What are the key properties of (2R)-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
(2R)-2-[(2,2,2-trifluoroacetyl)amino]propanamide has a molecular weight of 184.12 g/mol, XLogP of -0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,2,2-trifluoroacetyl)amino]propanamide is sourced from PubChem (CID 87782800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).