2-[(4-aminooxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C9H13F3N2O4 — CID 79258328

IUPAC2-[(4-aminooxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESNC1COCC1C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C9H13F3N2O4/c10-9(11,12)4-14(1-7(15)16)8(17)5-2-18-3-6(5)13/h5-6H,1-4,13H2,(H,15,16)
InChIKeyAMFCJECPPVVKIV-UHFFFAOYSA-N
MW270.21 g/mol
LogP-0.56
Rot. Bonds4

About 2-[(4-aminooxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(4-aminooxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258328) has the molecular formula C9H13F3N2O4 and a molecular weight of 270.21 g/mol. Its IUPAC name is 2-[(4-aminooxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-aminooxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258328
Molecular FormulaC9H13F3N2O4
Molecular Weight270.21 g/mol
Exact Mass270.08
IUPAC Name2-[(4-aminooxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESNC1COCC1C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C9H13F3N2O4/c10-9(11,12)4-14(1-7(15)16)8(17)5-2-18-3-6(5)13/h5-6H,1-4,13H2,(H,15,16)
InChIKeyAMFCJECPPVVKIV-UHFFFAOYSA-N
XLogP-0.56
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminooxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(4-aminooxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258328) is 2-[(4-aminooxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-aminooxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-aminooxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is NC1COCC1C(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[(4-aminooxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is AMFCJECPPVVKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O4/c10-9(11,12)4-14(1-7(15)16)8(17)5-2-18-3-6(5)13/h5-6H,1-4,13H2,(H,15,16).
What are the key properties of 2-[(4-aminooxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(4-aminooxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 270.21 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminooxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).