(2S)-N-[[(3S,4R)-4-fluoropyrrolidin-3-yl]methyl]-2-hydroxypropanamide

C8H15FN2O2 — CID 141430832

IUPAC(2S)-N-[[(3S,4R)-4-fluoropyrrolidin-3-yl]methyl]-2-hydroxypropanamide
SMILESC[C@H](O)C(=O)NC[C@@H]1CNC[C@@H]1F
InChIInChI=1S/C8H15FN2O2/c1-5(12)8(13)11-3-6-2-10-4-7(6)9/h5-7,10,12H,2-4H2,1H3,(H,11,13)/t5-,6-,7-/m0/s1
InChIKeyAJBCRWOBIQLGGT-ACZMJKKPSA-N
MW190.22 g/mol
LogP-0.96
Rot. Bonds3

About (2S)-N-[[(3S,4R)-4-fluoropyrrolidin-3-yl]methyl]-2-hydroxypropanamide

(2S)-N-[[(3S,4R)-4-fluoropyrrolidin-3-yl]methyl]-2-hydroxypropanamide (PubChem CID 141430832) has the molecular formula C8H15FN2O2 and a molecular weight of 190.22 g/mol. Its IUPAC name is (2S)-N-[[(3S,4R)-4-fluoropyrrolidin-3-yl]methyl]-2-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-N-[[(3S,4R)-4-fluoropyrrolidin-3-yl]methyl]-2-hydroxypropanamide
PubChem CID141430832
Molecular FormulaC8H15FN2O2
Molecular Weight190.22 g/mol
Exact Mass190.11
IUPAC Name(2S)-N-[[(3S,4R)-4-fluoropyrrolidin-3-yl]methyl]-2-hydroxypropanamide
SMILESC[C@H](O)C(=O)NC[C@@H]1CNC[C@@H]1F
InChIInChI=1S/C8H15FN2O2/c1-5(12)8(13)11-3-6-2-10-4-7(6)9/h5-7,10,12H,2-4H2,1H3,(H,11,13)/t5-,6-,7-/m0/s1
InChIKeyAJBCRWOBIQLGGT-ACZMJKKPSA-N
XLogP-0.96
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[(3S,4R)-4-fluoropyrrolidin-3-yl]methyl]-2-hydroxypropanamide?
The IUPAC name of (2S)-N-[[(3S,4R)-4-fluoropyrrolidin-3-yl]methyl]-2-hydroxypropanamide (CID 141430832) is (2S)-N-[[(3S,4R)-4-fluoropyrrolidin-3-yl]methyl]-2-hydroxypropanamide.
What is the SMILES notation for (2S)-N-[[(3S,4R)-4-fluoropyrrolidin-3-yl]methyl]-2-hydroxypropanamide?
The canonical SMILES for (2S)-N-[[(3S,4R)-4-fluoropyrrolidin-3-yl]methyl]-2-hydroxypropanamide is C[C@H](O)C(=O)NC[C@@H]1CNC[C@@H]1F.
What is the InChIKey of (2S)-N-[[(3S,4R)-4-fluoropyrrolidin-3-yl]methyl]-2-hydroxypropanamide?
The InChIKey is AJBCRWOBIQLGGT-ACZMJKKPSA-N. The full InChI is InChI=1S/C8H15FN2O2/c1-5(12)8(13)11-3-6-2-10-4-7(6)9/h5-7,10,12H,2-4H2,1H3,(H,11,13)/t5-,6-,7-/m0/s1.
What are the key properties of (2S)-N-[[(3S,4R)-4-fluoropyrrolidin-3-yl]methyl]-2-hydroxypropanamide?
(2S)-N-[[(3S,4R)-4-fluoropyrrolidin-3-yl]methyl]-2-hydroxypropanamide has a molecular weight of 190.22 g/mol, XLogP of -0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[(3S,4R)-4-fluoropyrrolidin-3-yl]methyl]-2-hydroxypropanamide is sourced from PubChem (CID 141430832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).