(2S,3S)-N-ethyl-3-fluoro-1-methylpyrrolidine-2-carboxamide;molecular hydrogen;propane

C11H25FN2O — CID 171559129

IUPAC(2S,3S)-N-ethyl-3-fluoro-1-methylpyrrolidine-2-carboxamide;molecular hydrogen;propane
SMILESCCC.CCNC(=O)[C@H]1[C@@H](F)CCN1C.[H][H]
InChIInChI=1S/C8H15FN2O.C3H8.H2/c1-3-10-8(12)7-6(9)4-5-11(7)2;1-3-2;/h6-7H,3-5H2,1-2H3,(H,10,12);3H2,1-2H3;1H/t6-,7+;;/m0../s1
InChIKeyYDRBWIIYMJTIOW-AUCRBCQYSA-N
MW220.33 g/mol
LogP1.83
Rot. Bonds2

About (2S,3S)-N-ethyl-3-fluoro-1-methylpyrrolidine-2-carboxamide;molecular hydrogen;propane

(2S,3S)-N-ethyl-3-fluoro-1-methylpyrrolidine-2-carboxamide;molecular hydrogen;propane (PubChem CID 171559129) has the molecular formula C11H25FN2O and a molecular weight of 220.33 g/mol. Its IUPAC name is (2S,3S)-N-ethyl-3-fluoro-1-methylpyrrolidine-2-carboxamide;molecular hydrogen;propane.

Molecular Properties

Compound Name(2S,3S)-N-ethyl-3-fluoro-1-methylpyrrolidine-2-carboxamide;molecular hydrogen;propane
PubChem CID171559129
Molecular FormulaC11H25FN2O
Molecular Weight220.33 g/mol
Exact Mass220.20
IUPAC Name(2S,3S)-N-ethyl-3-fluoro-1-methylpyrrolidine-2-carboxamide;molecular hydrogen;propane
SMILESCCC.CCNC(=O)[C@H]1[C@@H](F)CCN1C.[H][H]
InChIInChI=1S/C8H15FN2O.C3H8.H2/c1-3-10-8(12)7-6(9)4-5-11(7)2;1-3-2;/h6-7H,3-5H2,1-2H3,(H,10,12);3H2,1-2H3;1H/t6-,7+;;/m0../s1
InChIKeyYDRBWIIYMJTIOW-AUCRBCQYSA-N
XLogP1.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5S)-N-ethyl-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 172579800
(2R)-N-ethylpyrrolidine-2-carboxamide;molecular hydrogen
CID 178045420
(2S,3S,4S,7S)-N-ethyl-4-methyl-6-oxo-1,5-diazatricyclo[5.3.0.03,5]decane-2-carboxamide
CID 134967598
N-ethyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 51077622
N-ethyl-2,2-difluorospiro[2.5]octane-6-carboxamide
CID 156872223
(3-fluoro-1-methylpyrrolidin-2-yl)methanol
CID 163598879
(2S)-N,1-diethylpyrrolidine-2-carboxamide;hydrochloride
CID 66936572
(2R,5S)-5-(ethylcarbamoyl)oxolane-2-carboxylic acid
CID 102944287
(1S,6S)-N-ethylbicyclo[4.1.0]heptane-7-carboxamide
CID 124567047
N-ethylbicyclo[3.1.0]hexane-6-carboxamide
CID 79600194
ethane;N-ethyl-4-hydroxycyclohexane-1-carboxamide
CID 164564557
(2S)-N-ethyl-1-nitrosopyrrolidine-2-carboxamide
CID 175675318

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-ethyl-3-fluoro-1-methylpyrrolidine-2-carboxamide;molecular hydrogen;propane?
The IUPAC name of (2S,3S)-N-ethyl-3-fluoro-1-methylpyrrolidine-2-carboxamide;molecular hydrogen;propane (CID 171559129) is (2S,3S)-N-ethyl-3-fluoro-1-methylpyrrolidine-2-carboxamide;molecular hydrogen;propane.
What is the SMILES notation for (2S,3S)-N-ethyl-3-fluoro-1-methylpyrrolidine-2-carboxamide;molecular hydrogen;propane?
The canonical SMILES for (2S,3S)-N-ethyl-3-fluoro-1-methylpyrrolidine-2-carboxamide;molecular hydrogen;propane is CCC.CCNC(=O)[C@H]1[C@@H](F)CCN1C.[H][H].
What is the InChIKey of (2S,3S)-N-ethyl-3-fluoro-1-methylpyrrolidine-2-carboxamide;molecular hydrogen;propane?
The InChIKey is YDRBWIIYMJTIOW-AUCRBCQYSA-N. The full InChI is InChI=1S/C8H15FN2O.C3H8.H2/c1-3-10-8(12)7-6(9)4-5-11(7)2;1-3-2;/h6-7H,3-5H2,1-2H3,(H,10,12);3H2,1-2H3;1H/t6-,7+;;/m0../s1.
What are the key properties of (2S,3S)-N-ethyl-3-fluoro-1-methylpyrrolidine-2-carboxamide;molecular hydrogen;propane?
(2S,3S)-N-ethyl-3-fluoro-1-methylpyrrolidine-2-carboxamide;molecular hydrogen;propane has a molecular weight of 220.33 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-ethyl-3-fluoro-1-methylpyrrolidine-2-carboxamide;molecular hydrogen;propane is sourced from PubChem (CID 171559129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).