2-amino-N-(cyclopropylmethyl)acetamide;2,2,2-trifluoroacetic acid

C8H13F3N2O3 — CID 67242360

IUPAC2-amino-N-(cyclopropylmethyl)acetamide;2,2,2-trifluoroacetic acid
SMILESNCC(=O)NCC1CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H12N2O.C2HF3O2/c7-3-6(9)8-4-5-1-2-5;3-2(4,5)1(6)7/h5H,1-4,7H2,(H,8,9);(H,6,7)
InChIKeyFXYNFJXYRBAZNZ-UHFFFAOYSA-N
MW242.20 g/mol
LogP0.10
Rot. Bonds3

About 2-amino-N-(cyclopropylmethyl)acetamide;2,2,2-trifluoroacetic acid

2-amino-N-(cyclopropylmethyl)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 67242360) has the molecular formula C8H13F3N2O3 and a molecular weight of 242.20 g/mol. Its IUPAC name is 2-amino-N-(cyclopropylmethyl)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-amino-N-(cyclopropylmethyl)acetamide;2,2,2-trifluoroacetic acid
PubChem CID67242360
Molecular FormulaC8H13F3N2O3
Molecular Weight242.20 g/mol
Exact Mass242.09
IUPAC Name2-amino-N-(cyclopropylmethyl)acetamide;2,2,2-trifluoroacetic acid
SMILESNCC(=O)NCC1CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H12N2O.C2HF3O2/c7-3-6(9)8-4-5-1-2-5;3-2(4,5)1(6)7/h5H,1-4,7H2,(H,8,9);(H,6,7)
InChIKeyFXYNFJXYRBAZNZ-UHFFFAOYSA-N
XLogP0.10
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(cyclopropylmethyl)acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-amino-N-(cyclopropylmethyl)acetamide;2,2,2-trifluoroacetic acid (CID 67242360) is 2-amino-N-(cyclopropylmethyl)acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-amino-N-(cyclopropylmethyl)acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-amino-N-(cyclopropylmethyl)acetamide;2,2,2-trifluoroacetic acid is NCC(=O)NCC1CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-N-(cyclopropylmethyl)acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is FXYNFJXYRBAZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.C2HF3O2/c7-3-6(9)8-4-5-1-2-5;3-2(4,5)1(6)7/h5H,1-4,7H2,(H,8,9);(H,6,7).
What are the key properties of 2-amino-N-(cyclopropylmethyl)acetamide;2,2,2-trifluoroacetic acid?
2-amino-N-(cyclopropylmethyl)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 242.20 g/mol, XLogP of 0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(cyclopropylmethyl)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67242360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).