2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide

C9H15F3N2O2 — CID 102953523

IUPAC2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c1-5-6(2-3-13-5)8(16)14-4-7(15)9(10,11)12/h5-7,13,15H,2-4H2,1H3,(H,14,16)
InChIKeyCNVQDFHMHQKZIG-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.02
Rot. Bonds3

About 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide

2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide (PubChem CID 102953523) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide
PubChem CID102953523
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c1-5-6(2-3-13-5)8(16)14-4-7(15)9(10,11)12/h5-7,13,15H,2-4H2,1H3,(H,14,16)
InChIKeyCNVQDFHMHQKZIG-UHFFFAOYSA-N
XLogP0.02
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114093430
(2S)-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide
CID 103795786
2-hydroxy-2-methyl-3-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 79385228
N,2-dimethylpyrrolidine-3-carboxamide
CID 79382983
2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 79388783
N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentanecarboxamide
CID 103723234
2-methyl-N-(2-methylprop-2-enyl)pyrrolidine-3-carboxamide
CID 114617185
N-[2-(ethylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxamide
CID 79388729
5-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-2-carboxamide
CID 103773766
N-[2-(tert-butylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxamide
CID 79388327
N-[2-(dimethylamino)ethyl]-2-methylpyrrolidine-3-carboxamide
CID 79383065
N-(3-hydroxy-4-methoxybutyl)-2-methylpyrrolidine-3-carboxamide
CID 106247563

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide?
The IUPAC name of 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide (CID 102953523) is 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide is CC1NCCC1C(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide?
The InChIKey is CNVQDFHMHQKZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-5-6(2-3-13-5)8(16)14-4-7(15)9(10,11)12/h5-7,13,15H,2-4H2,1H3,(H,14,16).
What are the key properties of 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide?
2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide has a molecular weight of 240.22 g/mol, XLogP of 0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 102953523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).