3-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide

C11H21FN2O2 — CID 128986717

IUPAC3-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN1C[C@@H](F)C[C@H]1CO
InChIInChI=1S/C11H21FN2O2/c1-8(2)13-11(16)3-4-14-6-9(12)5-10(14)7-15/h8-10,15H,3-7H2,1-2H3,(H,13,16)/t9-,10-/m0/s1
InChIKeyXQQPYINPNBYFGE-UWVGGRQHSA-N
MW232.30 g/mol
LogP0.31
Rot. Bonds5

About 3-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide

3-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide (PubChem CID 128986717) has the molecular formula C11H21FN2O2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 3-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide
PubChem CID128986717
Molecular FormulaC11H21FN2O2
Molecular Weight232.30 g/mol
Exact Mass232.16
IUPAC Name3-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN1C[C@@H](F)C[C@H]1CO
InChIInChI=1S/C11H21FN2O2/c1-8(2)13-11(16)3-4-14-6-9(12)5-10(14)7-15/h8-10,15H,3-7H2,1-2H3,(H,13,16)/t9-,10-/m0/s1
InChIKeyXQQPYINPNBYFGE-UWVGGRQHSA-N
XLogP0.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide (CID 128986717) is 3-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCN1C[C@@H](F)C[C@H]1CO.
What is the InChIKey of 3-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is XQQPYINPNBYFGE-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H21FN2O2/c1-8(2)13-11(16)3-4-14-6-9(12)5-10(14)7-15/h8-10,15H,3-7H2,1-2H3,(H,13,16)/t9-,10-/m0/s1.
What are the key properties of 3-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide?
3-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 232.30 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 128986717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).