2-[1-oxaspiro[4.5]decan-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid

C14H22F3NO3 — CID 102899244

IUPAC2-[1-oxaspiro[4.5]decan-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CCC2(CCCCC2)O1)CC(F)(F)F
InChIInChI=1S/C14H22F3NO3/c15-14(16,17)10-18(9-12(19)20)8-11-4-7-13(21-11)5-2-1-3-6-13/h11H,1-10H2,(H,19,20)
InChIKeyRSJUXSUDWWNKSZ-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.82
Rot. Bonds5

About 2-[1-oxaspiro[4.5]decan-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[1-oxaspiro[4.5]decan-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 102899244) has the molecular formula C14H22F3NO3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-[1-oxaspiro[4.5]decan-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1-oxaspiro[4.5]decan-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID102899244
Molecular FormulaC14H22F3NO3
Molecular Weight309.33 g/mol
Exact Mass309.16
IUPAC Name2-[1-oxaspiro[4.5]decan-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CCC2(CCCCC2)O1)CC(F)(F)F
InChIInChI=1S/C14H22F3NO3/c15-14(16,17)10-18(9-12(19)20)8-11-4-7-13(21-11)5-2-1-3-6-13/h11H,1-10H2,(H,19,20)
InChIKeyRSJUXSUDWWNKSZ-UHFFFAOYSA-N
XLogP2.82
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-oxaspiro[4.5]decan-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-Oxaspiro[4.5]decan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 102848142
2-[1-Oxaspiro[4.4]nonan-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 102899243
3,3,3-Trifluoro-2-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanoic acid
CID 102899256
2-[2,2-Difluoroethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
CID 107485738
2-[(5,5-Dimethyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 116522753
Methyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propyl)amino]acetate
CID 102848064
Ethyl 2-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetate
CID 102848068
Ethyl 2-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetate
CID 102848072
Ethyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetate
CID 102848074
Methyl 2-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetate
CID 102848086
Methyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetate
CID 102848123
2-[Methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid
CID 102899122

Frequently Asked Questions

What is the IUPAC name of 2-[1-oxaspiro[4.5]decan-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[1-oxaspiro[4.5]decan-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 102899244) is 2-[1-oxaspiro[4.5]decan-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[1-oxaspiro[4.5]decan-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[1-oxaspiro[4.5]decan-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC1CCC2(CCCCC2)O1)CC(F)(F)F.
What is the InChIKey of 2-[1-oxaspiro[4.5]decan-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is RSJUXSUDWWNKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO3/c15-14(16,17)10-18(9-12(19)20)8-11-4-7-13(21-11)5-2-1-3-6-13/h11H,1-10H2,(H,19,20).
What are the key properties of 2-[1-oxaspiro[4.5]decan-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[1-oxaspiro[4.5]decan-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 309.33 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-oxaspiro[4.5]decan-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 102899244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).