2-[(5-methyloxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C10H14F3NO4 — CID 114824514

IUPAC2-[(5-methyloxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC1CC(C(=O)N(CC(=O)O)CC(F)(F)F)CO1
InChIInChI=1S/C10H14F3NO4/c1-6-2-7(4-18-6)9(17)14(3-8(15)16)5-10(11,12)13/h6-7H,2-5H2,1H3,(H,15,16)
InChIKeyRKECXAFJKINGNN-UHFFFAOYSA-N
MW269.22 g/mol
LogP0.89
Rot. Bonds4

About 2-[(5-methyloxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(5-methyloxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 114824514) has the molecular formula C10H14F3NO4 and a molecular weight of 269.22 g/mol. Its IUPAC name is 2-[(5-methyloxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-methyloxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID114824514
Molecular FormulaC10H14F3NO4
Molecular Weight269.22 g/mol
Exact Mass269.09
IUPAC Name2-[(5-methyloxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC1CC(C(=O)N(CC(=O)O)CC(F)(F)F)CO1
InChIInChI=1S/C10H14F3NO4/c1-6-2-7(4-18-6)9(17)14(3-8(15)16)5-10(11,12)13/h6-7H,2-5H2,1H3,(H,15,16)
InChIKeyRKECXAFJKINGNN-UHFFFAOYSA-N
XLogP0.89
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyloxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(5-methyloxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 114824514) is 2-[(5-methyloxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-methyloxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(5-methyloxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is CC1CC(C(=O)N(CC(=O)O)CC(F)(F)F)CO1.
What is the InChIKey of 2-[(5-methyloxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is RKECXAFJKINGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO4/c1-6-2-7(4-18-6)9(17)14(3-8(15)16)5-10(11,12)13/h6-7H,2-5H2,1H3,(H,15,16).
What are the key properties of 2-[(5-methyloxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(5-methyloxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 269.22 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyloxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 114824514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).