3-[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-N-methylpropanamide

C13H22FN3O3 — CID 120963348

IUPAC3-[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCN1C[C@H](F)C[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C13H22FN3O3/c1-15-12(18)2-3-17-9-10(14)8-11(17)13(19)16-4-6-20-7-5-16/h10-11H,2-9H2,1H3,(H,15,18)/t10-,11+/m1/s1
InChIKeyNFICBWKGFWFLOX-MNOVXSKESA-N
MW287.33 g/mol
LogP-0.61
Rot. Bonds4

About 3-[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-N-methylpropanamide

3-[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-N-methylpropanamide (PubChem CID 120963348) has the molecular formula C13H22FN3O3 and a molecular weight of 287.33 g/mol. Its IUPAC name is 3-[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-N-methylpropanamide
PubChem CID120963348
Molecular FormulaC13H22FN3O3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC Name3-[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCN1C[C@H](F)C[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C13H22FN3O3/c1-15-12(18)2-3-17-9-10(14)8-11(17)13(19)16-4-6-20-7-5-16/h10-11H,2-9H2,1H3,(H,15,18)/t10-,11+/m1/s1
InChIKeyNFICBWKGFWFLOX-MNOVXSKESA-N
XLogP-0.61
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-N-methylpropanamide?
The IUPAC name of 3-[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-N-methylpropanamide (CID 120963348) is 3-[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-N-methylpropanamide?
The canonical SMILES for 3-[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-N-methylpropanamide is CNC(=O)CCN1C[C@H](F)C[C@H]1C(=O)N1CCOCC1.
What is the InChIKey of 3-[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-N-methylpropanamide?
The InChIKey is NFICBWKGFWFLOX-MNOVXSKESA-N. The full InChI is InChI=1S/C13H22FN3O3/c1-15-12(18)2-3-17-9-10(14)8-11(17)13(19)16-4-6-20-7-5-16/h10-11H,2-9H2,1H3,(H,15,18)/t10-,11+/m1/s1.
What are the key properties of 3-[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-N-methylpropanamide?
3-[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-N-methylpropanamide has a molecular weight of 287.33 g/mol, XLogP of -0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 120963348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).