(3R,4R)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide

C8H15FN2O2 — CID 138583552

IUPAC(3R,4R)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)NC(=O)N1C[C@@H](O)[C@H](F)C1
InChIInChI=1S/C8H15FN2O2/c1-5(2)10-8(13)11-3-6(9)7(12)4-11/h5-7,12H,3-4H2,1-2H3,(H,10,13)/t6-,7-/m1/s1
InChIKeyRFOJYFWFOWSDBE-RNFRBKRXSA-N
MW190.22 g/mol
LogP0.12
Rot. Bonds1

About (3R,4R)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide

(3R,4R)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide (PubChem CID 138583552) has the molecular formula C8H15FN2O2 and a molecular weight of 190.22 g/mol. Its IUPAC name is (3R,4R)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4R)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide
PubChem CID138583552
Molecular FormulaC8H15FN2O2
Molecular Weight190.22 g/mol
Exact Mass190.11
IUPAC Name(3R,4R)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)NC(=O)N1C[C@@H](O)[C@H](F)C1
InChIInChI=1S/C8H15FN2O2/c1-5(2)10-8(13)11-3-6(9)7(12)4-11/h5-7,12H,3-4H2,1-2H3,(H,10,13)/t6-,7-/m1/s1
InChIKeyRFOJYFWFOWSDBE-RNFRBKRXSA-N
XLogP0.12
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of (3R,4R)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide (CID 138583552) is (3R,4R)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3R,4R)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (3R,4R)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide is CC(C)NC(=O)N1C[C@@H](O)[C@H](F)C1.
What is the InChIKey of (3R,4R)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide?
The InChIKey is RFOJYFWFOWSDBE-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H15FN2O2/c1-5(2)10-8(13)11-3-6(9)7(12)4-11/h5-7,12H,3-4H2,1-2H3,(H,10,13)/t6-,7-/m1/s1.
What are the key properties of (3R,4R)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide?
(3R,4R)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide has a molecular weight of 190.22 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 138583552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).