2-propyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxylic acid

C11H18F3NO3 — CID 106978987

IUPAC2-propyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1CC(O)C(F)(F)F
InChIInChI=1S/C11H18F3NO3/c1-2-4-10(9(17)18)5-3-6-15(10)7-8(16)11(12,13)14/h8,16H,2-7H2,1H3,(H,17,18)
InChIKeyAGDMJZRBNVPNJK-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.63
Rot. Bonds5

About 2-propyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxylic acid

2-propyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxylic acid (PubChem CID 106978987) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-propyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-propyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxylic acid
PubChem CID106978987
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name2-propyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1CC(O)C(F)(F)F
InChIInChI=1S/C11H18F3NO3/c1-2-4-10(9(17)18)5-3-6-15(10)7-8(16)11(12,13)14/h8,16H,2-7H2,1H3,(H,17,18)
InChIKeyAGDMJZRBNVPNJK-UHFFFAOYSA-N
XLogP1.63
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Fluoro-1-(2-hydroxyethyl)-4-propylpyrrolidine-2-carboxylic acid
CID 18446397
4-(3,3-Difluoropentyl)-1-(2-hydroxyethyl)pyrrolidine-2-carboxylic acid
CID 21076018
4-(3,3-Difluoropropyl)-1-(2-hydroxyethyl)pyrrolidine-2-carboxylic acid
CID 21076020
1-(4,4-Difluoro-2-hydroxy-3-methylhexyl)pyrrolidine-2-carboxylic acid
CID 69626667
(2R)-3,3-difluoro-1,2-dimethylpyrrolidine-2-carboxylic acid
CID 69719567
1-Methyl-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid
CID 84739700
(2S)-1-methyl-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid
CID 129081015
(2R)-1-[(2R)-2-fluoropropyl]-2-methylpyrrolidine-2-carboxylic acid
CID 167294981
1-(3,3,3-Trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxylic acid
CID 63900474
2-Methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxylic acid
CID 64370100
2-Methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxylic acid
CID 64370109
2-Methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-2-carboxylic acid
CID 64371765

Frequently Asked Questions

What is the IUPAC name of 2-propyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-propyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxylic acid (CID 106978987) is 2-propyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-propyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-propyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1CC(O)C(F)(F)F.
What is the InChIKey of 2-propyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxylic acid?
The InChIKey is AGDMJZRBNVPNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-2-4-10(9(17)18)5-3-6-15(10)7-8(16)11(12,13)14/h8,16H,2-7H2,1H3,(H,17,18).
What are the key properties of 2-propyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxylic acid?
2-propyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106978987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).