2-(methylamino)acetamide;2,2,2-trifluoroacetic acid

C5H9F3N2O3 — CID 87645337

IUPAC2-(methylamino)acetamide;2,2,2-trifluoroacetic acid
SMILESCNCC(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C3H8N2O.C2HF3O2/c1-5-2-3(4)6;3-2(4,5)1(6)7/h5H,2H2,1H3,(H2,4,6);(H,6,7)
InChIKeyKOCHNVSEUJJRGD-UHFFFAOYSA-N
MW202.13 g/mol
LogP-0.68
Rot. Bonds2

About 2-(methylamino)acetamide;2,2,2-trifluoroacetic acid

2-(methylamino)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 87645337) has the molecular formula C5H9F3N2O3 and a molecular weight of 202.13 g/mol. Its IUPAC name is 2-(methylamino)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(methylamino)acetamide;2,2,2-trifluoroacetic acid
PubChem CID87645337
Molecular FormulaC5H9F3N2O3
Molecular Weight202.13 g/mol
Exact Mass202.06
IUPAC Name2-(methylamino)acetamide;2,2,2-trifluoroacetic acid
SMILESCNCC(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C3H8N2O.C2HF3O2/c1-5-2-3(4)6;3-2(4,5)1(6)7/h5H,2H2,1H3,(H2,4,6);(H,6,7)
InChIKeyKOCHNVSEUJJRGD-UHFFFAOYSA-N
XLogP-0.68
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.13
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Dimethylamino)acetamide;2,2,2-trifluoroacetic acid
CID 21896818
2-amino-N,N-dimethylacetamide trifluoroacetate
CID 21936803
N,N-dimethyl-2-(methylamino)acetamide;2,2,2-trifluoroacetic acid
CID 21936835
2-amino-N-methylacetamide;2,2,2-trifluoroacetic acid
CID 21936858
2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-[2-(methylamino)ethyl]acetamide
CID 44769606
1-Methylpiperazin-2-one trifluoroacetate
CID 46737077
Piperazin-2-one 2,2,2-trifluoroacetate
CID 67358098
2-amino-N-(2,2,2-trifluoroethyl)acetamide;2,2,2-trifluoroacetic acid
CID 86698903
2-(Dimethylamino)propanamide;2,2,2-trifluoroacetic acid
CID 87076092
N-[2-(ethylamino)-2-oxoethyl]-2-(methylamino)acetamide;2,2,2-trifluoroacetic acid
CID 87410217
2-(Ethylcarbamoylamino)acetamide;2,2,2-trifluoroacetic acid
CID 87451880
N',N'-dimethylethane-1,2-diamine;2,2,2-trifluoroacetic acid
CID 87541329

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(methylamino)acetamide;2,2,2-trifluoroacetic acid (CID 87645337) is 2-(methylamino)acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(methylamino)acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(methylamino)acetamide;2,2,2-trifluoroacetic acid is CNCC(N)=O.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(methylamino)acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is KOCHNVSEUJJRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O.C2HF3O2/c1-5-2-3(4)6;3-2(4,5)1(6)7/h5H,2H2,1H3,(H2,4,6);(H,6,7).
What are the key properties of 2-(methylamino)acetamide;2,2,2-trifluoroacetic acid?
2-(methylamino)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 202.13 g/mol, XLogP of -0.68, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 87645337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).