2,2,2-trifluoroethyl 2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate

C8H11F3N2O4 — CID 65173833

IUPAC2,2,2-trifluoroethyl 2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate
SMILESNC(=O)C1CC(O)CN1C(=O)OCC(F)(F)F
InChIInChI=1S/C8H11F3N2O4/c9-8(10,11)3-17-7(16)13-2-4(14)1-5(13)6(12)15/h4-5,14H,1-3H2,(H2,12,15)
InChIKeySHNKWAAPONAGFJ-UHFFFAOYSA-N
MW256.18 g/mol
LogP-0.39
Rot. Bonds2

About 2,2,2-trifluoroethyl 2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate

2,2,2-trifluoroethyl 2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate (PubChem CID 65173833) has the molecular formula C8H11F3N2O4 and a molecular weight of 256.18 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate
PubChem CID65173833
Molecular FormulaC8H11F3N2O4
Molecular Weight256.18 g/mol
Exact Mass256.07
IUPAC Name2,2,2-trifluoroethyl 2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate
SMILESNC(=O)C1CC(O)CN1C(=O)OCC(F)(F)F
InChIInChI=1S/C8H11F3N2O4/c9-8(10,11)3-17-7(16)13-2-4(14)1-5(13)6(12)15/h4-5,14H,1-3H2,(H2,12,15)
InChIKeySHNKWAAPONAGFJ-UHFFFAOYSA-N
XLogP-0.39
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S)-2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate
CID 67557534
4-hydroxy-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-2-carboxamide
CID 79260481
benzyl 2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate
CID 18520553
4-methoxy-1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-2-carboxylic acid
CID 61170397
(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxamide
CID 45116064
4-hydroxy-1-propanoylpyrrolidine-2-carboxamide
CID 64591082
1-[2-(aminomethyl)-2-ethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 113308902
4-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 103205789
1-(3-amino-2,2,3-trimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide
CID 65269624
(2S,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxamide
CID 122163617
bis(prop-2-enyl) (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
CID 139678210
(2R,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxamide
CID 124508175

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate (CID 65173833) is 2,2,2-trifluoroethyl 2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate is NC(=O)C1CC(O)CN1C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl 2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate?
The InChIKey is SHNKWAAPONAGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O4/c9-8(10,11)3-17-7(16)13-2-4(14)1-5(13)6(12)15/h4-5,14H,1-3H2,(H2,12,15).
What are the key properties of 2,2,2-trifluoroethyl 2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate?
2,2,2-trifluoroethyl 2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate has a molecular weight of 256.18 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 65173833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).