2-amino-2-[4-(1,1-difluoropropan-2-yl)-2-oxopyrrolidin-1-yl]butanamide

C11H19F2N3O2 — CID 90899257

IUPAC2-amino-2-[4-(1,1-difluoropropan-2-yl)-2-oxopyrrolidin-1-yl]butanamide
SMILESCCC(N)(C(N)=O)N1CC(C(C)C(F)F)CC1=O
InChIInChI=1S/C11H19F2N3O2/c1-3-11(15,10(14)18)16-5-7(4-8(16)17)6(2)9(12)13/h6-7,9H,3-5,15H2,1-2H3,(H2,14,18)
InChIKeyAPGXCCOSCFYKEL-UHFFFAOYSA-N
MW263.29 g/mol
LogP0.29
Rot. Bonds5

About 2-amino-2-[4-(1,1-difluoropropan-2-yl)-2-oxopyrrolidin-1-yl]butanamide

2-amino-2-[4-(1,1-difluoropropan-2-yl)-2-oxopyrrolidin-1-yl]butanamide (PubChem CID 90899257) has the molecular formula C11H19F2N3O2 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-amino-2-[4-(1,1-difluoropropan-2-yl)-2-oxopyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name2-amino-2-[4-(1,1-difluoropropan-2-yl)-2-oxopyrrolidin-1-yl]butanamide
PubChem CID90899257
Molecular FormulaC11H19F2N3O2
Molecular Weight263.29 g/mol
Exact Mass263.14
IUPAC Name2-amino-2-[4-(1,1-difluoropropan-2-yl)-2-oxopyrrolidin-1-yl]butanamide
SMILESCCC(N)(C(N)=O)N1CC(C(C)C(F)F)CC1=O
InChIInChI=1S/C11H19F2N3O2/c1-3-11(15,10(14)18)16-5-7(4-8(16)17)6(2)9(12)13/h6-7,9H,3-5,15H2,1-2H3,(H2,14,18)
InChIKeyAPGXCCOSCFYKEL-UHFFFAOYSA-N
XLogP0.29
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,2-Difluoroethyl)-2-oxopyrrolidin-1-yl]butanamide
CID 9813419
(2S)-2-[2-oxo-4-(3,3,3-trifluoropropyl)pyrrolidin-1-yl]butanamide
CID 9921497
2-[(4S)-4-(2,2-difluoropropyl)-2-oxopyrrolidin-1-yl]butanamide
CID 9942923
2-(4-Isopropyl-2-oxopyrrolidin-1-yl)butanamide
CID 22387053
3-methyl-N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide
CID 45105963
2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 3643364
2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 4877302
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 4880956
(5S)-3-(2,2-difluoroethyl)-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 99711356
2-[2-Methyl-5-oxo-2-(trifluoromethyl)pyrrolidin-1-yl]acetamide
CID 15288962
2-[4-(2,2-Difluoropropyl)-2-oxopyrrolidin-1-yl]butanamide
CID 22387039
2-[2-Oxo-4-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]butanamide
CID 22387089

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-(1,1-difluoropropan-2-yl)-2-oxopyrrolidin-1-yl]butanamide?
The IUPAC name of 2-amino-2-[4-(1,1-difluoropropan-2-yl)-2-oxopyrrolidin-1-yl]butanamide (CID 90899257) is 2-amino-2-[4-(1,1-difluoropropan-2-yl)-2-oxopyrrolidin-1-yl]butanamide.
What is the SMILES notation for 2-amino-2-[4-(1,1-difluoropropan-2-yl)-2-oxopyrrolidin-1-yl]butanamide?
The canonical SMILES for 2-amino-2-[4-(1,1-difluoropropan-2-yl)-2-oxopyrrolidin-1-yl]butanamide is CCC(N)(C(N)=O)N1CC(C(C)C(F)F)CC1=O.
What is the InChIKey of 2-amino-2-[4-(1,1-difluoropropan-2-yl)-2-oxopyrrolidin-1-yl]butanamide?
The InChIKey is APGXCCOSCFYKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N3O2/c1-3-11(15,10(14)18)16-5-7(4-8(16)17)6(2)9(12)13/h6-7,9H,3-5,15H2,1-2H3,(H2,14,18).
What are the key properties of 2-amino-2-[4-(1,1-difluoropropan-2-yl)-2-oxopyrrolidin-1-yl]butanamide?
2-amino-2-[4-(1,1-difluoropropan-2-yl)-2-oxopyrrolidin-1-yl]butanamide has a molecular weight of 263.29 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-(1,1-difluoropropan-2-yl)-2-oxopyrrolidin-1-yl]butanamide is sourced from PubChem (CID 90899257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).