4-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]piperidine-1,4-dicarboxylic acid

C11H14F3N3O5 — CID 174174449

IUPAC4-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]piperidine-1,4-dicarboxylic acid
SMILESO=C(O)N1CCC(C(=O)O)(N2CC(C(F)(F)F)NC2=O)CC1
InChIInChI=1S/C11H14F3N3O5/c12-11(13,14)6-5-17(8(20)15-6)10(7(18)19)1-3-16(4-2-10)9(21)22/h6H,1-5H2,(H,15,20)(H,18,19)(H,21,22)
InChIKeyYDCXIVBZVLSVTC-UHFFFAOYSA-N
MW325.24 g/mol
LogP0.54
Rot. Bonds2

About 4-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]piperidine-1,4-dicarboxylic acid

4-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]piperidine-1,4-dicarboxylic acid (PubChem CID 174174449) has the molecular formula C11H14F3N3O5 and a molecular weight of 325.24 g/mol. Its IUPAC name is 4-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]piperidine-1,4-dicarboxylic acid.

Molecular Properties

Compound Name4-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]piperidine-1,4-dicarboxylic acid
PubChem CID174174449
Molecular FormulaC11H14F3N3O5
Molecular Weight325.24 g/mol
Exact Mass325.09
IUPAC Name4-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]piperidine-1,4-dicarboxylic acid
SMILESO=C(O)N1CCC(C(=O)O)(N2CC(C(F)(F)F)NC2=O)CC1
InChIInChI=1S/C11H14F3N3O5/c12-11(13,14)6-5-17(8(20)15-6)10(7(18)19)1-3-16(4-2-10)9(21)22/h6H,1-5H2,(H,15,20)(H,18,19)(H,21,22)
InChIKeyYDCXIVBZVLSVTC-UHFFFAOYSA-N
XLogP0.54
TPSA110.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]piperidine-1-carboxylic acid
CID 175969544
3-(trifluoromethyl)pyrrolidine-1-carboxylic acid
CID 68960717
4-(4-oxopiperidin-1-yl)-4-(trifluoromethyl)piperidine-1-carboxylic acid
CID 175875173
4-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 168692885
4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 168661891
1-(2-oxo-1,3-thiazolidine-4-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710319
(3R)-1-[(3R,6S)-2-oxo-6-(trifluoromethyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 129425361
4-fluoro-8-azaspiro[4.5]decane-8-carboxylic acid
CID 152560175
4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylic acid
CID 91321948
4-(1-carboxycyclopropyl)piperidine-1-carboxylic acid
CID 174923939
(3-ethylpyrrolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 63140126
3-oxo-2,8-diazaspiro[4.5]decane-4,8-dicarboxylic acid
CID 90908477

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]piperidine-1,4-dicarboxylic acid?
The IUPAC name of 4-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]piperidine-1,4-dicarboxylic acid (CID 174174449) is 4-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]piperidine-1,4-dicarboxylic acid.
What is the SMILES notation for 4-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]piperidine-1,4-dicarboxylic acid?
The canonical SMILES for 4-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]piperidine-1,4-dicarboxylic acid is O=C(O)N1CCC(C(=O)O)(N2CC(C(F)(F)F)NC2=O)CC1.
What is the InChIKey of 4-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]piperidine-1,4-dicarboxylic acid?
The InChIKey is YDCXIVBZVLSVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O5/c12-11(13,14)6-5-17(8(20)15-6)10(7(18)19)1-3-16(4-2-10)9(21)22/h6H,1-5H2,(H,15,20)(H,18,19)(H,21,22).
What are the key properties of 4-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]piperidine-1,4-dicarboxylic acid?
4-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]piperidine-1,4-dicarboxylic acid has a molecular weight of 325.24 g/mol, XLogP of 0.54, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]piperidine-1,4-dicarboxylic acid is sourced from PubChem (CID 174174449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).