2-fluoro-N-[[(2S,4S)-4-hydroxypyrrolidin-2-yl]methyl]-2-methylpropanamide

C9H17FN2O2 — CID 70307904

IUPAC2-fluoro-N-[[(2S,4S)-4-hydroxypyrrolidin-2-yl]methyl]-2-methylpropanamide
SMILESCC(C)(F)C(=O)NC[C@@H]1C[C@H](O)CN1
InChIInChI=1S/C9H17FN2O2/c1-9(2,10)8(14)12-4-6-3-7(13)5-11-6/h6-7,11,13H,3-5H2,1-2H3,(H,12,14)/t6-,7-/m0/s1
InChIKeyQOWZHENFITWRNJ-BQBZGAKWSA-N
MW204.24 g/mol
LogP-0.43
Rot. Bonds3

About 2-fluoro-N-[[(2S,4S)-4-hydroxypyrrolidin-2-yl]methyl]-2-methylpropanamide

2-fluoro-N-[[(2S,4S)-4-hydroxypyrrolidin-2-yl]methyl]-2-methylpropanamide (PubChem CID 70307904) has the molecular formula C9H17FN2O2 and a molecular weight of 204.24 g/mol. Its IUPAC name is 2-fluoro-N-[[(2S,4S)-4-hydroxypyrrolidin-2-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-fluoro-N-[[(2S,4S)-4-hydroxypyrrolidin-2-yl]methyl]-2-methylpropanamide
PubChem CID70307904
Molecular FormulaC9H17FN2O2
Molecular Weight204.24 g/mol
Exact Mass204.13
IUPAC Name2-fluoro-N-[[(2S,4S)-4-hydroxypyrrolidin-2-yl]methyl]-2-methylpropanamide
SMILESCC(C)(F)C(=O)NC[C@@H]1C[C@H](O)CN1
InChIInChI=1S/C9H17FN2O2/c1-9(2,10)8(14)12-4-6-3-7(13)5-11-6/h6-7,11,13H,3-5H2,1-2H3,(H,12,14)/t6-,7-/m0/s1
InChIKeyQOWZHENFITWRNJ-BQBZGAKWSA-N
XLogP-0.43
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[(2S,4S)-4-hydroxypyrrolidin-2-yl]methyl]-2-methylpropanamide?
The IUPAC name of 2-fluoro-N-[[(2S,4S)-4-hydroxypyrrolidin-2-yl]methyl]-2-methylpropanamide (CID 70307904) is 2-fluoro-N-[[(2S,4S)-4-hydroxypyrrolidin-2-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for 2-fluoro-N-[[(2S,4S)-4-hydroxypyrrolidin-2-yl]methyl]-2-methylpropanamide?
The canonical SMILES for 2-fluoro-N-[[(2S,4S)-4-hydroxypyrrolidin-2-yl]methyl]-2-methylpropanamide is CC(C)(F)C(=O)NC[C@@H]1C[C@H](O)CN1.
What is the InChIKey of 2-fluoro-N-[[(2S,4S)-4-hydroxypyrrolidin-2-yl]methyl]-2-methylpropanamide?
The InChIKey is QOWZHENFITWRNJ-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H17FN2O2/c1-9(2,10)8(14)12-4-6-3-7(13)5-11-6/h6-7,11,13H,3-5H2,1-2H3,(H,12,14)/t6-,7-/m0/s1.
What are the key properties of 2-fluoro-N-[[(2S,4S)-4-hydroxypyrrolidin-2-yl]methyl]-2-methylpropanamide?
2-fluoro-N-[[(2S,4S)-4-hydroxypyrrolidin-2-yl]methyl]-2-methylpropanamide has a molecular weight of 204.24 g/mol, XLogP of -0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[(2S,4S)-4-hydroxypyrrolidin-2-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 70307904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).