3-amino-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid

C7H11F3N2O2 — CID 107324242

IUPAC3-amino-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(CC(F)(F)F)C1
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)4-12-2-1-6(11,3-12)5(13)14/h1-4,11H2,(H,13,14)
InChIKeyHGHFGHZGJJUSNV-UHFFFAOYSA-N
MW212.17 g/mol
LogP0.04
Rot. Bonds2

About 3-amino-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid

3-amino-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid (PubChem CID 107324242) has the molecular formula C7H11F3N2O2 and a molecular weight of 212.17 g/mol. Its IUPAC name is 3-amino-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid
PubChem CID107324242
Molecular FormulaC7H11F3N2O2
Molecular Weight212.17 g/mol
Exact Mass212.08
IUPAC Name3-amino-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(CC(F)(F)F)C1
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)4-12-2-1-6(11,3-12)5(13)14/h1-4,11H2,(H,13,14)
InChIKeyHGHFGHZGJJUSNV-UHFFFAOYSA-N
XLogP0.04
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Cucurbitine
CID 442634
3-Aminopyrrolidine-3-carboxylic acid dihydrochloride
CID 11694114
3-Aminopyrrolidine-3-carboxylic acid
CID 415763
3-Amino-1-methylpyrrolidine-3-carboxylic acid;dihydrochloride
CID 177798920
(3S)-3-aminopyrrolidine-3-carboxylic acid
CID 11029875
3-Amino-1-methylpyrrolidine-3-carboxylic acid
CID 62976583
1-Cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylic acid
CID 55142184
2-Amino-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 61911992
1-Propan-2-yl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylic acid
CID 61979788
1-Methyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylic acid
CID 62976227
1-(2-Aminoethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710188
1-(2-Amino-3,3,3-trifluoro-2-methylpropanoyl)pyrrolidine-3-carboxylic acid
CID 79810562

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid (CID 107324242) is 3-amino-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid is NC1(C(=O)O)CCN(CC(F)(F)F)C1.
What is the InChIKey of 3-amino-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is HGHFGHZGJJUSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O2/c8-7(9,10)4-12-2-1-6(11,3-12)5(13)14/h1-4,11H2,(H,13,14).
What are the key properties of 3-amino-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid?
3-amino-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 212.17 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107324242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).