(2R,4R)-4-hydroxy-1-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid

C10H15F3N2O5 — CID 107481998

IUPAC(2R,4R)-4-hydroxy-1-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CN1C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H15F3N2O5/c11-10(12,13)5-14(1-2-16)9(20)15-4-6(17)3-7(15)8(18)19/h6-7,16-17H,1-5H2,(H,18,19)/t6-,7-/m1/s1
InChIKeyRGLBLXQUPJBVJM-RNFRBKRXSA-N
MW300.23 g/mol
LogP-0.52
Rot. Bonds4

About (2R,4R)-4-hydroxy-1-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid

(2R,4R)-4-hydroxy-1-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 107481998) has the molecular formula C10H15F3N2O5 and a molecular weight of 300.23 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-1-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-1-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID107481998
Molecular FormulaC10H15F3N2O5
Molecular Weight300.23 g/mol
Exact Mass300.09
IUPAC Name(2R,4R)-4-hydroxy-1-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CN1C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H15F3N2O5/c11-10(12,13)5-14(1-2-16)9(20)15-4-6(17)3-7(15)8(18)19/h6-7,16-17H,1-5H2,(H,18,19)/t6-,7-/m1/s1
InChIKeyRGLBLXQUPJBVJM-RNFRBKRXSA-N
XLogP-0.52
TPSA101.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-1-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-4-hydroxy-1-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 107481998) is (2R,4R)-4-hydroxy-1-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-hydroxy-1-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-4-hydroxy-1-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1C[C@@H](O)CN1C(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of (2R,4R)-4-hydroxy-1-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is RGLBLXQUPJBVJM-RNFRBKRXSA-N. The full InChI is InChI=1S/C10H15F3N2O5/c11-10(12,13)5-14(1-2-16)9(20)15-4-6(17)3-7(15)8(18)19/h6-7,16-17H,1-5H2,(H,18,19)/t6-,7-/m1/s1.
What are the key properties of (2R,4R)-4-hydroxy-1-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid?
(2R,4R)-4-hydroxy-1-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 300.23 g/mol, XLogP of -0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-1-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 107481998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).