(2S)-N-(2-methoxyethyl)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidine-1-carboxamide

C10H17F3N2O3 — CID 95631539

IUPAC(2S)-N-(2-methoxyethyl)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC[C@H]1[C@H](O)C(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-18-6-4-14-9(17)15-5-2-3-7(15)8(16)10(11,12)13/h7-8,16H,2-6H2,1H3,(H,14,17)/t7-,8-/m0/s1
InChIKeyFDFOAODBJPNGLQ-YUMQZZPRSA-N
MW270.25 g/mol
LogP0.73
Rot. Bonds4

About (2S)-N-(2-methoxyethyl)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidine-1-carboxamide

(2S)-N-(2-methoxyethyl)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidine-1-carboxamide (PubChem CID 95631539) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is (2S)-N-(2-methoxyethyl)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxyethyl)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidine-1-carboxamide
PubChem CID95631539
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name(2S)-N-(2-methoxyethyl)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC[C@H]1[C@H](O)C(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-18-6-4-14-9(17)15-5-2-3-7(15)8(16)10(11,12)13/h7-8,16H,2-6H2,1H3,(H,14,17)/t7-,8-/m0/s1
InChIKeyFDFOAODBJPNGLQ-YUMQZZPRSA-N
XLogP0.73
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020325
2-(2-methoxyethylamino)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone
CID 79290556
(2R,3S)-3-amino-N-(2-methoxyethyl)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide
CID 166990378
3-methoxy-N-(2-methoxyethyl)-2-methyl-3-(1-methylpyrrolidin-2-yl)propanamide
CID 144871200
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)pyrrolidine-1-carboxamide
CID 97158372
(2R)-1-[4-(2-methoxyethoxy)butylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 104860990
1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 63833712
(3S)-1-(2-methoxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 28512077
4-amino-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 122417506
4-[(2S)-2-cyclopropyl-2-hydroxyethyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 97039185
2-(methoxymethyl)-N-propylpyrrolidine-1-carboxamide
CID 110874580
2-(2-methoxyethylamino)-1-(2-propan-2-ylpiperidin-1-yl)ethanone
CID 119788483

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxyethyl)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(2-methoxyethyl)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidine-1-carboxamide (CID 95631539) is (2S)-N-(2-methoxyethyl)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(2-methoxyethyl)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(2-methoxyethyl)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidine-1-carboxamide is COCCNC(=O)N1CCC[C@H]1[C@H](O)C(F)(F)F.
What is the InChIKey of (2S)-N-(2-methoxyethyl)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidine-1-carboxamide?
The InChIKey is FDFOAODBJPNGLQ-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-18-6-4-14-9(17)15-5-2-3-7(15)8(16)10(11,12)13/h7-8,16H,2-6H2,1H3,(H,14,17)/t7-,8-/m0/s1.
What are the key properties of (2S)-N-(2-methoxyethyl)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidine-1-carboxamide?
(2S)-N-(2-methoxyethyl)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidine-1-carboxamide has a molecular weight of 270.25 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxyethyl)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 95631539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).