2-methyl-1-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid

C13H19F3N2O3 — CID 79377877

IUPAC2-methyl-1-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H19F3N2O3/c1-8-10(11(19)20)4-7-18(8)12(21)17-5-2-9(3-6-17)13(14,15)16/h8-10H,2-7H2,1H3,(H,19,20)
InChIKeyUMSPYGRVTWWLQT-UHFFFAOYSA-N
MW308.30 g/mol
LogP2.18
Rot. Bonds1

About 2-methyl-1-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid

2-methyl-1-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 79377877) has the molecular formula C13H19F3N2O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is 2-methyl-1-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid
PubChem CID79377877
Molecular FormulaC13H19F3N2O3
Molecular Weight308.30 g/mol
Exact Mass308.13
IUPAC Name2-methyl-1-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H19F3N2O3/c1-8-10(11(19)20)4-7-18(8)12(21)17-5-2-9(3-6-17)13(14,15)16/h8-10H,2-7H2,1H3,(H,19,20)
InChIKeyUMSPYGRVTWWLQT-UHFFFAOYSA-N
XLogP2.18
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 79363721
2-methyl-1-(3-methylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 79383271
2-methyl-1-(thiomorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 79383102
1-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79377376
(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
CID 137367540
1-(3-methoxy-4-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 102962516
4-[4-(trifluoromethyl)piperidine-1-carbonyl]thiomorpholine-3-carboxylic acid
CID 82905310
ethane;1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 143567977
2-methyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 79383557
1-(3,3-dimethylpiperidine-1-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79382487
(1S,6R)-6-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 104962511
2-methyl-1-(2-methyl-1,4-oxazepane-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 79383287

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid (CID 79377877) is 2-methyl-1-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1C(=O)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-methyl-1-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is UMSPYGRVTWWLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O3/c1-8-10(11(19)20)4-7-18(8)12(21)17-5-2-9(3-6-17)13(14,15)16/h8-10H,2-7H2,1H3,(H,19,20).
What are the key properties of 2-methyl-1-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid?
2-methyl-1-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 308.30 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79377877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).