2-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid

C6H9F3N2O3 — CID 16788156

IUPAC2-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid
SMILESCC(NC(=O)NCC(F)(F)F)C(=O)O
InChIInChI=1S/C6H9F3N2O3/c1-3(4(12)13)11-5(14)10-2-6(7,8)9/h3H,2H2,1H3,(H,12,13)(H2,10,11,14)
InChIKeyKVLJWEZXKPQKIF-UHFFFAOYSA-N
MW214.14 g/mol
LogP0.32
Rot. Bonds3

About 2-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid

2-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid (PubChem CID 16788156) has the molecular formula C6H9F3N2O3 and a molecular weight of 214.14 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid
PubChem CID16788156
Molecular FormulaC6H9F3N2O3
Molecular Weight214.14 g/mol
Exact Mass214.06
IUPAC Name2-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid
SMILESCC(NC(=O)NCC(F)(F)F)C(=O)O
InChIInChI=1S/C6H9F3N2O3/c1-3(4(12)13)11-5(14)10-2-6(7,8)9/h3H,2H2,1H3,(H,12,13)(H2,10,11,14)
InChIKeyKVLJWEZXKPQKIF-UHFFFAOYSA-N
XLogP0.32
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.14
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid?
The IUPAC name of 2-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid (CID 16788156) is 2-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid is CC(NC(=O)NCC(F)(F)F)C(=O)O.
What is the InChIKey of 2-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid?
The InChIKey is KVLJWEZXKPQKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O3/c1-3(4(12)13)11-5(14)10-2-6(7,8)9/h3H,2H2,1H3,(H,12,13)(H2,10,11,14).
What are the key properties of 2-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid?
2-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid has a molecular weight of 214.14 g/mol, XLogP of 0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid is sourced from PubChem (CID 16788156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).