(2S,4S)-4-fluoro-2-(methoxymethyl)-N-methylpyrrolidine-1-carboxamide

C8H15FN2O2 — CID 130964817

IUPAC(2S,4S)-4-fluoro-2-(methoxymethyl)-N-methylpyrrolidine-1-carboxamide
SMILESCNC(=O)N1C[C@@H](F)C[C@H]1COC
InChIInChI=1S/C8H15FN2O2/c1-10-8(12)11-4-6(9)3-7(11)5-13-2/h6-7H,3-5H2,1-2H3,(H,10,12)/t6-,7-/m0/s1
InChIKeyFYJQWMHNCSRQPD-BQBZGAKWSA-N
MW190.22 g/mol
LogP0.38
Rot. Bonds2

About (2S,4S)-4-fluoro-2-(methoxymethyl)-N-methylpyrrolidine-1-carboxamide

(2S,4S)-4-fluoro-2-(methoxymethyl)-N-methylpyrrolidine-1-carboxamide (PubChem CID 130964817) has the molecular formula C8H15FN2O2 and a molecular weight of 190.22 g/mol. Its IUPAC name is (2S,4S)-4-fluoro-2-(methoxymethyl)-N-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-fluoro-2-(methoxymethyl)-N-methylpyrrolidine-1-carboxamide
PubChem CID130964817
Molecular FormulaC8H15FN2O2
Molecular Weight190.22 g/mol
Exact Mass190.11
IUPAC Name(2S,4S)-4-fluoro-2-(methoxymethyl)-N-methylpyrrolidine-1-carboxamide
SMILESCNC(=O)N1C[C@@H](F)C[C@H]1COC
InChIInChI=1S/C8H15FN2O2/c1-10-8(12)11-4-6(9)3-7(11)5-13-2/h6-7H,3-5H2,1-2H3,(H,10,12)/t6-,7-/m0/s1
InChIKeyFYJQWMHNCSRQPD-BQBZGAKWSA-N
XLogP0.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-4-fluoro-2-(hydroxymethyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 132289380
1-[(3R,5S)-1-[(2S)-3-amino-2-fluoropropyl]-5-(2-fluoroethoxymethyl)pyrrolidin-3-yl]-3-methylurea
CID 89494764
1-[(3R,5S)-1-[(2S)-3-amino-2-methylpropyl]-5-(2-fluoroethoxymethyl)pyrrolidin-3-yl]-3-methylurea
CID 89495126
1-[(3R,5S)-1-[(2S)-3-amino-2-fluoropropyl]-5-(propoxymethyl)pyrrolidin-3-yl]-3-methylurea
CID 89495169
2-(Methoxymethyl)pyrrolidine-1-carboxamide
CID 13438062
1-Ethyl-3-(3-fluoropropyl)-1-(oxolan-2-ylmethyl)urea
CID 86817999
1-ethyl-3-(3-fluoropropyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 99615634
1-ethyl-3-(3-fluoropropyl)-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 99615636
(2R)-2-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 103631549
1-Methyl-1-(oxolan-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115592917
1-Ethyl-1-(oxolan-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115592924
2-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 115613476

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-fluoro-2-(methoxymethyl)-N-methylpyrrolidine-1-carboxamide?
The IUPAC name of (2S,4S)-4-fluoro-2-(methoxymethyl)-N-methylpyrrolidine-1-carboxamide (CID 130964817) is (2S,4S)-4-fluoro-2-(methoxymethyl)-N-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S,4S)-4-fluoro-2-(methoxymethyl)-N-methylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S,4S)-4-fluoro-2-(methoxymethyl)-N-methylpyrrolidine-1-carboxamide is CNC(=O)N1C[C@@H](F)C[C@H]1COC.
What is the InChIKey of (2S,4S)-4-fluoro-2-(methoxymethyl)-N-methylpyrrolidine-1-carboxamide?
The InChIKey is FYJQWMHNCSRQPD-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H15FN2O2/c1-10-8(12)11-4-6(9)3-7(11)5-13-2/h6-7H,3-5H2,1-2H3,(H,10,12)/t6-,7-/m0/s1.
What are the key properties of (2S,4S)-4-fluoro-2-(methoxymethyl)-N-methylpyrrolidine-1-carboxamide?
(2S,4S)-4-fluoro-2-(methoxymethyl)-N-methylpyrrolidine-1-carboxamide has a molecular weight of 190.22 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-fluoro-2-(methoxymethyl)-N-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 130964817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).