3-[2-amino-4-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-oxobutyl]pyrrolidin-2-one

C11H17F2N3O3 — CID 168941870

IUPAC3-[2-amino-4-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-oxobutyl]pyrrolidin-2-one
SMILESNC(CC1CCNC1=O)C(O)C(=O)N1CC(F)(F)C1
InChIInChI=1S/C11H17F2N3O3/c12-11(13)4-16(5-11)10(19)8(17)7(14)3-6-1-2-15-9(6)18/h6-8,17H,1-5,14H2,(H,15,18)
InChIKeyKXWZLUDXRSVWDS-UHFFFAOYSA-N
MW277.27 g/mol
LogP-1.32
Rot. Bonds4

About 3-[2-amino-4-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-oxobutyl]pyrrolidin-2-one

3-[2-amino-4-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-oxobutyl]pyrrolidin-2-one (PubChem CID 168941870) has the molecular formula C11H17F2N3O3 and a molecular weight of 277.27 g/mol. Its IUPAC name is 3-[2-amino-4-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-oxobutyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[2-amino-4-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-oxobutyl]pyrrolidin-2-one
PubChem CID168941870
Molecular FormulaC11H17F2N3O3
Molecular Weight277.27 g/mol
Exact Mass277.12
IUPAC Name3-[2-amino-4-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-oxobutyl]pyrrolidin-2-one
SMILESNC(CC1CCNC1=O)C(O)C(=O)N1CC(F)(F)C1
InChIInChI=1S/C11H17F2N3O3/c12-11(13)4-16(5-11)10(19)8(17)7(14)3-6-1-2-15-9(6)18/h6-8,17H,1-5,14H2,(H,15,18)
InChIKeyKXWZLUDXRSVWDS-UHFFFAOYSA-N
XLogP-1.32
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[2-amino-4-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-oxobutyl]pyrrolidin-2-one with MolForge

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Related Compounds

(3S)-3-[(2S)-2-amino-3-hydroxy-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-4-oxobutyl]piperidin-2-one;2,2,2-trifluoroacetic acid
CID 175915041
(3S)-3-amino-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]-N-propan-2-ylbutanamide;hydrochloride
CID 134306097
3-(3-fluoro-2-hydroxypropyl)pyrrolidin-2-one
CID 130843908
(3S)-3-amino-2-hydroxy-N,N-dimethyl-4-[(3S)-2-oxopyrrolidin-3-yl]butanamide;2,2,2-trifluoroacetic acid
CID 175915034
3-(2-aminopropyl)pyrrolidin-2-one
CID 82651299
2-amino-3-(2-oxopyrrolidin-3-yl)propanamide
CID 166112267
(2S)-3-amino-N-benzyl-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]butanamide
CID 162695553
(3S)-3-(2-amino-4-chloro-3-oxobutyl)pyrrolidin-2-one
CID 143139104
[(3S)-3-amino-1-(cyclopropylamino)-1-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl] acetate
CID 171088245
2-amino-3-(2-oxopyrrolidin-3-yl)propanamide;prop-1-ene
CID 166112266
(3S)-3-[(2S)-2-amino-3-oxo-4-(trifluoromethoxy)butyl]pyrrolidin-2-one;hydrochloride
CID 166170193
(3S)-3-[(2S)-2-amino-3-methoxypropyl]pyrrolidin-2-one
CID 170008578

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-4-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-oxobutyl]pyrrolidin-2-one?
The IUPAC name of 3-[2-amino-4-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-oxobutyl]pyrrolidin-2-one (CID 168941870) is 3-[2-amino-4-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-oxobutyl]pyrrolidin-2-one.
What is the SMILES notation for 3-[2-amino-4-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-oxobutyl]pyrrolidin-2-one?
The canonical SMILES for 3-[2-amino-4-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-oxobutyl]pyrrolidin-2-one is NC(CC1CCNC1=O)C(O)C(=O)N1CC(F)(F)C1.
What is the InChIKey of 3-[2-amino-4-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-oxobutyl]pyrrolidin-2-one?
The InChIKey is KXWZLUDXRSVWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O3/c12-11(13)4-16(5-11)10(19)8(17)7(14)3-6-1-2-15-9(6)18/h6-8,17H,1-5,14H2,(H,15,18).
What are the key properties of 3-[2-amino-4-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-oxobutyl]pyrrolidin-2-one?
3-[2-amino-4-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-oxobutyl]pyrrolidin-2-one has a molecular weight of 277.27 g/mol, XLogP of -1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-4-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-oxobutyl]pyrrolidin-2-one is sourced from PubChem (CID 168941870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).