3,3,3-trifluoro-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]propanoic acid

C10H16F3NO3 — CID 80997298

IUPAC3,3,3-trifluoro-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]propanoic acid
SMILESCN(CC1CCCO1)CC(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-14(5-7-3-2-4-17-7)6-8(9(15)16)10(11,12)13/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyUCHSHTSNEIZRLT-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.36
Rot. Bonds5

About 3,3,3-trifluoro-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]propanoic acid

3,3,3-trifluoro-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]propanoic acid (PubChem CID 80997298) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]propanoic acid
PubChem CID80997298
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name3,3,3-trifluoro-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]propanoic acid
SMILESCN(CC1CCCO1)CC(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-14(5-7-3-2-4-17-7)6-8(9(15)16)10(11,12)13/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyUCHSHTSNEIZRLT-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-trifluoro-N'-hydroxy-2-[[methyl(oxan-2-ylmethyl)amino]methyl]propanimidamide
CID 103369307
(2S)-1-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol
CID 103935026
2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]-1-phenylpropan-1-one
CID 62613157
1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)butane-1,2-diamine
CID 61431541
methyl(oxolan-2-ylmethyl)carbamic acid
CID 90935828
N',2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 61431602
2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]butanoic acid
CID 79407488
N-methyl-N-(oxolan-2-ylmethyl)carbamoyl chloride
CID 79887071
1-cyclopentyl-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 104745209
2-(bromomethyl)-N,3,3-trimethyl-N-(oxolan-2-ylmethyl)butan-1-amine
CID 65015785
1-cyclohexyl-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 104745207
2,2-dimethyl-6-[methyl(oxolan-2-ylmethyl)amino]hexanoic acid
CID 106713969

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]propanoic acid (CID 80997298) is 3,3,3-trifluoro-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]propanoic acid is CN(CC1CCCO1)CC(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]propanoic acid?
The InChIKey is UCHSHTSNEIZRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-14(5-7-3-2-4-17-7)6-8(9(15)16)10(11,12)13/h7-8H,2-6H2,1H3,(H,15,16).
What are the key properties of 3,3,3-trifluoro-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]propanoic acid?
3,3,3-trifluoro-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]propanoic acid has a molecular weight of 255.24 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]propanoic acid is sourced from PubChem (CID 80997298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).