2-[carbamoyl(2,2,2-trifluoroethyl)amino]acetic acid

C5H7F3N2O3 — CID 79258062

IUPAC2-[carbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESNC(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C5H7F3N2O3/c6-5(7,8)2-10(4(9)13)1-3(11)12/h1-2H2,(H2,9,13)(H,11,12)
InChIKeyVEOPMZYQSKFAGB-UHFFFAOYSA-N
MW200.12 g/mol
LogP0.01
Rot. Bonds3

About 2-[carbamoyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[carbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258062) has the molecular formula C5H7F3N2O3 and a molecular weight of 200.12 g/mol. Its IUPAC name is 2-[carbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258062
Molecular FormulaC5H7F3N2O3
Molecular Weight200.12 g/mol
Exact Mass200.04
IUPAC Name2-[carbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESNC(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C5H7F3N2O3/c6-5(7,8)2-10(4(9)13)1-3(11)12/h1-2H2,(H2,9,13)(H,11,12)
InChIKeyVEOPMZYQSKFAGB-UHFFFAOYSA-N
XLogP0.01
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.12
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[carbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[carbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258062) is 2-[carbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[carbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[carbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is NC(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[carbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is VEOPMZYQSKFAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2O3/c6-5(7,8)2-10(4(9)13)1-3(11)12/h1-2H2,(H2,9,13)(H,11,12).
What are the key properties of 2-[carbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[carbamoyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 200.12 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).