2-[[carbamoyl(methyl)amino]methyl]-3,3,3-trifluoropropanoic acid

C6H9F3N2O3 — CID 23326901

IUPAC2-[[carbamoyl(methyl)amino]methyl]-3,3,3-trifluoropropanoic acid
SMILESCN(CC(C(=O)O)C(F)(F)F)C(N)=O
InChIInChI=1S/C6H9F3N2O3/c1-11(5(10)14)2-3(4(12)13)6(7,8)9/h3H,2H2,1H3,(H2,10,14)(H,12,13)
InChIKeyDULYQPIDYCVTDC-UHFFFAOYSA-N
MW214.14 g/mol
LogP0.26
Rot. Bonds3

About 2-[[carbamoyl(methyl)amino]methyl]-3,3,3-trifluoropropanoic acid

2-[[carbamoyl(methyl)amino]methyl]-3,3,3-trifluoropropanoic acid (PubChem CID 23326901) has the molecular formula C6H9F3N2O3 and a molecular weight of 214.14 g/mol. Its IUPAC name is 2-[[carbamoyl(methyl)amino]methyl]-3,3,3-trifluoropropanoic acid.

Molecular Properties

Compound Name2-[[carbamoyl(methyl)amino]methyl]-3,3,3-trifluoropropanoic acid
PubChem CID23326901
Molecular FormulaC6H9F3N2O3
Molecular Weight214.14 g/mol
Exact Mass214.06
IUPAC Name2-[[carbamoyl(methyl)amino]methyl]-3,3,3-trifluoropropanoic acid
SMILESCN(CC(C(=O)O)C(F)(F)F)C(N)=O
InChIInChI=1S/C6H9F3N2O3/c1-11(5(10)14)2-3(4(12)13)6(7,8)9/h3H,2H2,1H3,(H2,10,14)(H,12,13)
InChIKeyDULYQPIDYCVTDC-UHFFFAOYSA-N
XLogP0.26
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.14
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[carbamoyl(methyl)amino]methyl]-3,3,3-trifluoropropanoic acid?
The IUPAC name of 2-[[carbamoyl(methyl)amino]methyl]-3,3,3-trifluoropropanoic acid (CID 23326901) is 2-[[carbamoyl(methyl)amino]methyl]-3,3,3-trifluoropropanoic acid.
What is the SMILES notation for 2-[[carbamoyl(methyl)amino]methyl]-3,3,3-trifluoropropanoic acid?
The canonical SMILES for 2-[[carbamoyl(methyl)amino]methyl]-3,3,3-trifluoropropanoic acid is CN(CC(C(=O)O)C(F)(F)F)C(N)=O.
What is the InChIKey of 2-[[carbamoyl(methyl)amino]methyl]-3,3,3-trifluoropropanoic acid?
The InChIKey is DULYQPIDYCVTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O3/c1-11(5(10)14)2-3(4(12)13)6(7,8)9/h3H,2H2,1H3,(H2,10,14)(H,12,13).
What are the key properties of 2-[[carbamoyl(methyl)amino]methyl]-3,3,3-trifluoropropanoic acid?
2-[[carbamoyl(methyl)amino]methyl]-3,3,3-trifluoropropanoic acid has a molecular weight of 214.14 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[carbamoyl(methyl)amino]methyl]-3,3,3-trifluoropropanoic acid is sourced from PubChem (CID 23326901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).