3,3,3-trifluoro-2-[[(2-methyloxolan-2-yl)methylamino]methyl]propanoic acid

C10H16F3NO3 — CID 103259718

IUPAC3,3,3-trifluoro-2-[[(2-methyloxolan-2-yl)methylamino]methyl]propanoic acid
SMILESCC1(CNCC(C(=O)O)C(F)(F)F)CCCO1
InChIInChI=1S/C10H16F3NO3/c1-9(3-2-4-17-9)6-14-5-7(8(15)16)10(11,12)13/h7,14H,2-6H2,1H3,(H,15,16)
InChIKeySQYWAQNPFGFCDL-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.41
Rot. Bonds5

About 3,3,3-trifluoro-2-[[(2-methyloxolan-2-yl)methylamino]methyl]propanoic acid

3,3,3-trifluoro-2-[[(2-methyloxolan-2-yl)methylamino]methyl]propanoic acid (PubChem CID 103259718) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[(2-methyloxolan-2-yl)methylamino]methyl]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[(2-methyloxolan-2-yl)methylamino]methyl]propanoic acid
PubChem CID103259718
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name3,3,3-trifluoro-2-[[(2-methyloxolan-2-yl)methylamino]methyl]propanoic acid
SMILESCC1(CNCC(C(=O)O)C(F)(F)F)CCCO1
InChIInChI=1S/C10H16F3NO3/c1-9(3-2-4-17-9)6-14-5-7(8(15)16)10(11,12)13/h7,14H,2-6H2,1H3,(H,15,16)
InChIKeySQYWAQNPFGFCDL-UHFFFAOYSA-N
XLogP1.41
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-2-[[(2-methyloxolan-2-yl)methylamino]methyl]propanoic acid with MolForge

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Related Compounds

7-Methyl-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 146272683
3,3,3-Trifluoro-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]propanoic acid
CID 80997298
2-[[Ethyl(oxolan-2-ylmethyl)amino]methyl]-3,3,3-trifluoropropanoic acid
CID 80997516
3,3,3-Trifluoro-2-[(oxolan-2-ylmethylamino)methyl]propanoic acid
CID 103234750
3,3,3-Trifluoro-2-[[1-(oxolan-2-yl)ethylamino]methyl]propanoic acid
CID 103238611
3,3,3-Trifluoro-2-[(oxan-3-ylmethylamino)methyl]propanoic acid
CID 103242266
3,3,3-Trifluoro-2-[[(2-methoxycyclopentyl)amino]methyl]propanoic acid
CID 103248545
2-[[(2,3-Dimethyloxolan-3-yl)amino]methyl]-3,3,3-trifluoropropanoic acid
CID 105666448
3,3,3-Trifluoro-2-[[(1-methoxycyclobutyl)methylamino]methyl]propanoic acid
CID 105848099
3,3,3-Trifluoro-2-[[2-(oxolan-3-yl)ethylamino]methyl]propanoic acid
CID 105942071
3,3,3-Trifluoro-2-[[(5-hydroxy-4-methylpentyl)amino]methyl]propanoic acid
CID 106162267
3,3-Difluoro-5-[[(2-hydroxy-2-methylpentyl)amino]methyl]oxolan-2-one
CID 106292810

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[(2-methyloxolan-2-yl)methylamino]methyl]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-[[(2-methyloxolan-2-yl)methylamino]methyl]propanoic acid (CID 103259718) is 3,3,3-trifluoro-2-[[(2-methyloxolan-2-yl)methylamino]methyl]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-[[(2-methyloxolan-2-yl)methylamino]methyl]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-[[(2-methyloxolan-2-yl)methylamino]methyl]propanoic acid is CC1(CNCC(C(=O)O)C(F)(F)F)CCCO1.
What is the InChIKey of 3,3,3-trifluoro-2-[[(2-methyloxolan-2-yl)methylamino]methyl]propanoic acid?
The InChIKey is SQYWAQNPFGFCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-9(3-2-4-17-9)6-14-5-7(8(15)16)10(11,12)13/h7,14H,2-6H2,1H3,(H,15,16).
What are the key properties of 3,3,3-trifluoro-2-[[(2-methyloxolan-2-yl)methylamino]methyl]propanoic acid?
3,3,3-trifluoro-2-[[(2-methyloxolan-2-yl)methylamino]methyl]propanoic acid has a molecular weight of 255.24 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[(2-methyloxolan-2-yl)methylamino]methyl]propanoic acid is sourced from PubChem (CID 103259718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).