(2S,4S)-4-hydroxypyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid

C7H10F3NO5 — CID 129315200

IUPAC(2S,4S)-4-hydroxypyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)[C@@H]1C[C@H](O)CN1
InChIInChI=1S/C5H9NO3.C2HF3O2/c7-3-1-4(5(8)9)6-2-3;3-2(4,5)1(6)7/h3-4,6-7H,1-2H2,(H,8,9);(H,6,7)/t3-,4-;/m0./s1
InChIKeyPERLXSBZODQWTE-MMALYQPHSA-N
MW245.15 g/mol
LogP-0.57
Rot. Bonds1

About (2S,4S)-4-hydroxypyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid

(2S,4S)-4-hydroxypyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 129315200) has the molecular formula C7H10F3NO5 and a molecular weight of 245.15 g/mol. Its IUPAC name is (2S,4S)-4-hydroxypyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2S,4S)-4-hydroxypyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
PubChem CID129315200
Molecular FormulaC7H10F3NO5
Molecular Weight245.15 g/mol
Exact Mass245.05
IUPAC Name(2S,4S)-4-hydroxypyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)[C@@H]1C[C@H](O)CN1
InChIInChI=1S/C5H9NO3.C2HF3O2/c7-3-1-4(5(8)9)6-2-3;3-2(4,5)1(6)7/h3-4,6-7H,1-2H2,(H,8,9);(H,6,7)/t3-,4-;/m0./s1
InChIKeyPERLXSBZODQWTE-MMALYQPHSA-N
XLogP-0.57
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S,4S)-4-hydroxypyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
CID 11205991
(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydroxysilane
CID 131716757
2-aminoacetic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
CID 67068644
(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;1H-pyrrole
CID 172843797
(3R,5S)-5-(hydroxymethyl)pyrrolidin-3-ol;2,2,2-trifluoroacetic acid
CID 66735651
(2S)-4-hydroxypyrrolidine-2-carboxylic acid;(2S)-5-hydroxypyrrolidine-2-carboxylic acid
CID 157188043
2-[bis(2-hydroxyethyl)amino]ethanol;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
CID 174421816
4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 172831343
(3S,5R)-5-hydroxydiazinane-3-carboxylic acid
CID 92557182
(3S,5S)-5-hydroxydiazinane-3-carboxylic acid
CID 11062517
4-hydroxypyrrolidine-2-carboxylic acid;2-(trimethylazaniumyl)acetate
CID 19098789
1,3-thiazolidine-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 172787478

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-hydroxypyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of (2S,4S)-4-hydroxypyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid (CID 129315200) is (2S,4S)-4-hydroxypyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2S,4S)-4-hydroxypyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2S,4S)-4-hydroxypyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(O)[C@@H]1C[C@H](O)CN1.
What is the InChIKey of (2S,4S)-4-hydroxypyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid?
The InChIKey is PERLXSBZODQWTE-MMALYQPHSA-N. The full InChI is InChI=1S/C5H9NO3.C2HF3O2/c7-3-1-4(5(8)9)6-2-3;3-2(4,5)1(6)7/h3-4,6-7H,1-2H2,(H,8,9);(H,6,7)/t3-,4-;/m0./s1.
What are the key properties of (2S,4S)-4-hydroxypyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid?
(2S,4S)-4-hydroxypyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 245.15 g/mol, XLogP of -0.57, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-hydroxypyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 129315200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).