2-[(5-methyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid

C10H16F3NO3 — CID 82839748

IUPAC2-[(5-methyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC1CCC(CN(CC(=O)O)CC(F)(F)F)O1
InChIInChI=1S/C10H16F3NO3/c1-7-2-3-8(17-7)4-14(5-9(15)16)6-10(11,12)13/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyBXVLMJWODOKBAG-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.50
Rot. Bonds5

About 2-[(5-methyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(5-methyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 82839748) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-[(5-methyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-methyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID82839748
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name2-[(5-methyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC1CCC(CN(CC(=O)O)CC(F)(F)F)O1
InChIInChI=1S/C10H16F3NO3/c1-7-2-3-8(17-7)4-14(5-9(15)16)6-10(11,12)13/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyBXVLMJWODOKBAG-UHFFFAOYSA-N
XLogP1.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[Carboxymethyl(oxolan-2-ylmethyl)amino]acetic acid
CID 11042173
2-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)acetic acid;2,2,2-trifluoroacetic acid
CID 175383532
2-{Methyl[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]amino}acetic acid
CID 54594389
Ethyl 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxylate
CID 63899255
Methyl 3-[oxolan-2-ylmethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoate
CID 78964089
Methyl 3-[oxolan-2-ylmethyl(2,2,2-trifluoroethyl)amino]propanoate
CID 78964217
Methyl 3-[2,2-difluoroethyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964573
Methyl 3-[oxolan-2-ylmethyl(3,3,3-trifluoropropyl)amino]propanoate
CID 79003167
2-[3-(Oxolan-2-yl)propyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258199
2-[2-(Oxolan-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258257
2-[Oxan-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258354
2-[Oxolan-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258603

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(5-methyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 82839748) is 2-[(5-methyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-methyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(5-methyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid is CC1CCC(CN(CC(=O)O)CC(F)(F)F)O1.
What is the InChIKey of 2-[(5-methyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is BXVLMJWODOKBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-7-2-3-8(17-7)4-14(5-9(15)16)6-10(11,12)13/h7-8H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-[(5-methyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(5-methyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 255.24 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 82839748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).