4-hydroxy-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-2-carboxamide

C9H14F3N3O3 — CID 79260481

IUPAC4-hydroxy-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(O)CN1C(=O)CNCC(F)(F)F
InChIInChI=1S/C9H14F3N3O3/c10-9(11,12)4-14-2-7(17)15-3-5(16)1-6(15)8(13)18/h5-6,14,16H,1-4H2,(H2,13,18)
InChIKeyWQRDUKUTFWDPDJ-UHFFFAOYSA-N
MW269.22 g/mol
LogP-1.41
Rot. Bonds4

About 4-hydroxy-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-2-carboxamide

4-hydroxy-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-2-carboxamide (PubChem CID 79260481) has the molecular formula C9H14F3N3O3 and a molecular weight of 269.22 g/mol. Its IUPAC name is 4-hydroxy-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-2-carboxamide
PubChem CID79260481
Molecular FormulaC9H14F3N3O3
Molecular Weight269.22 g/mol
Exact Mass269.10
IUPAC Name4-hydroxy-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(O)CN1C(=O)CNCC(F)(F)F
InChIInChI=1S/C9H14F3N3O3/c10-9(11,12)4-14-2-7(17)15-3-5(16)1-6(15)8(13)18/h5-6,14,16H,1-4H2,(H2,13,18)
InChIKeyWQRDUKUTFWDPDJ-UHFFFAOYSA-N
XLogP-1.41
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-2-carboxamide 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

2,2,2-trifluoroethyl 2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate
CID 65173833
4-hydroxy-1-propanoylpyrrolidine-2-carboxamide
CID 64591082
1-(2-anilinoacetyl)-4-hydroxypyrrolidine-2-carboxamide
CID 54874193
1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 78995414
(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxamide
CID 45116064
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 103745543
1-[2-(aminomethyl)-2-ethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 113308902
4-hydroxy-1-[2-methyl-2-(methylamino)propanoyl]pyrrolidine-2-carboxamide
CID 62846717
(2R,4R)-4-hydroxy-1-[2-(prop-2-enylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 79278601
(2S)-4-hydroxy-1-[2-(prop-2-ynylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 79286962
(2S,4S)-1-(3,3-dimethylbutanoyl)-4-methylpyrrolidine-2-carboxamide
CID 66828881
(2R,4R)-1-[2-(4-chlorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide
CID 141098596

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-2-carboxamide (CID 79260481) is 4-hydroxy-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-2-carboxamide is NC(=O)C1CC(O)CN1C(=O)CNCC(F)(F)F.
What is the InChIKey of 4-hydroxy-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-2-carboxamide?
The InChIKey is WQRDUKUTFWDPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O3/c10-9(11,12)4-14-2-7(17)15-3-5(16)1-6(15)8(13)18/h5-6,14,16H,1-4H2,(H2,13,18).
What are the key properties of 4-hydroxy-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-2-carboxamide?
4-hydroxy-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 269.22 g/mol, XLogP of -1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 79260481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).