2-amino-N-cyclopropylacetamide;2,2,2-trifluoroacetic acid

C7H11F3N2O3 — CID 66813440

IUPAC2-amino-N-cyclopropylacetamide;2,2,2-trifluoroacetic acid
SMILESNCC(=O)NC1CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H10N2O.C2HF3O2/c6-3-5(8)7-4-1-2-4;3-2(4,5)1(6)7/h4H,1-3,6H2,(H,7,8);(H,6,7)
InChIKeyPDCHZMBZOAIJGK-UHFFFAOYSA-N
MW228.17 g/mol
LogP-0.14
Rot. Bonds2

About 2-amino-N-cyclopropylacetamide;2,2,2-trifluoroacetic acid

2-amino-N-cyclopropylacetamide;2,2,2-trifluoroacetic acid (PubChem CID 66813440) has the molecular formula C7H11F3N2O3 and a molecular weight of 228.17 g/mol. Its IUPAC name is 2-amino-N-cyclopropylacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-amino-N-cyclopropylacetamide;2,2,2-trifluoroacetic acid
PubChem CID66813440
Molecular FormulaC7H11F3N2O3
Molecular Weight228.17 g/mol
Exact Mass228.07
IUPAC Name2-amino-N-cyclopropylacetamide;2,2,2-trifluoroacetic acid
SMILESNCC(=O)NC1CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H10N2O.C2HF3O2/c6-3-5(8)7-4-1-2-4;3-2(4,5)1(6)7/h4H,1-3,6H2,(H,7,8);(H,6,7)
InChIKeyPDCHZMBZOAIJGK-UHFFFAOYSA-N
XLogP-0.14
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-trifluoroacetyl alanyl glycine
CID 137552848
N1-cyclopropyl-N2-(2,2,2-trifluoroethyl)oxalamide
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CID 19827986
2-Amino-N-cyclopropylmethyl-acetamide trifluoroacetate
CID 67242360
2-amino-N-(2,2,2-trifluoroethyl)acetamide;2,2,2-trifluoroacetic acid
CID 86698903
(2S)-2-amino-3-(3,3,3-trifluoropropanoylamino)propanoic acid
CID 87289495
2-Amino-3-(3,3,3-trifluoropropanoylamino)propanoic acid
CID 87289496
[1-Oxo-1-(1,2,2-trifluoroethylamino)propan-2-yl]carbamic acid
CID 87773392
2-amino-N-ethylacetamide;2,2,2-trifluoroacetic acid
CID 89106948
[(2R)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid
CID 89258342
[1-Oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid
CID 89258343
[(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid
CID 89258356

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropylacetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-amino-N-cyclopropylacetamide;2,2,2-trifluoroacetic acid (CID 66813440) is 2-amino-N-cyclopropylacetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-amino-N-cyclopropylacetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-amino-N-cyclopropylacetamide;2,2,2-trifluoroacetic acid is NCC(=O)NC1CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-N-cyclopropylacetamide;2,2,2-trifluoroacetic acid?
The InChIKey is PDCHZMBZOAIJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O.C2HF3O2/c6-3-5(8)7-4-1-2-4;3-2(4,5)1(6)7/h4H,1-3,6H2,(H,7,8);(H,6,7).
What are the key properties of 2-amino-N-cyclopropylacetamide;2,2,2-trifluoroacetic acid?
2-amino-N-cyclopropylacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 228.17 g/mol, XLogP of -0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropylacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 66813440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).