(2S,4R)-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid

C6H8F3NO2 — CID 124514332

IUPAC(2S,4R)-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](C(F)(F)F)CN1
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)3-1-4(5(11)12)10-2-3/h3-4,10H,1-2H2,(H,11,12)/t3-,4+/m1/s1
InChIKeyGBECQKOJMXNJCV-DMTCNVIQSA-N
MW183.13 g/mol
LogP0.61
Rot. Bonds1

About (2S,4R)-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid

(2S,4R)-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid (PubChem CID 124514332) has the molecular formula C6H8F3NO2 and a molecular weight of 183.13 g/mol. Its IUPAC name is (2S,4R)-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid
PubChem CID124514332
Molecular FormulaC6H8F3NO2
Molecular Weight183.13 g/mol
Exact Mass183.05
IUPAC Name(2S,4R)-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](C(F)(F)F)CN1
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)3-1-4(5(11)12)10-2-3/h3-4,10H,1-2H2,(H,11,12)/t3-,4+/m1/s1
InChIKeyGBECQKOJMXNJCV-DMTCNVIQSA-N
XLogP0.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.13
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

L-Proline
CID 145742
proline dl-form
CID 614
D-Proline
CID 8988
(4R)-4-Fluoro-L-proline
CID 11902999
2-Methylpyrrolidine-2-carboxylic acid
CID 95491
4-Methylproline
CID 352051
2-Methyl-L-proline
CID 6993664
L-Proline, 4-fluoro-, cis-
CID 10057550
(2S,3S)-3-methylpyrrolidine-2-carboxylic Acid
CID 2724879
(2s,4s)-4-Methylpyrrolidine-2-carboxylic acid
CID 13419855
(2R)-2-methylpyrrolidine-2-carboxylic acid
CID 14463985
(S)-2-methylpyrrolidine-2-carboxylic acid hydrochloride
CID 72207643

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid (CID 124514332) is (2S,4R)-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@@H](C(F)(F)F)CN1.
What is the InChIKey of (2S,4R)-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is GBECQKOJMXNJCV-DMTCNVIQSA-N. The full InChI is InChI=1S/C6H8F3NO2/c7-6(8,9)3-1-4(5(11)12)10-2-3/h3-4,10H,1-2H2,(H,11,12)/t3-,4+/m1/s1.
What are the key properties of (2S,4R)-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid?
(2S,4R)-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 183.13 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 124514332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).