4-cyclopropyl-3-[fluoro-(1-methylpyrrolidin-2-yl)oxyamino]-2-oxobutanamide

C12H20FN3O3 — CID 143314651

IUPAC4-cyclopropyl-3-[fluoro-(1-methylpyrrolidin-2-yl)oxyamino]-2-oxobutanamide
SMILESCN1CCCC1ON(F)C(CC1CC1)C(=O)C(N)=O
InChIInChI=1S/C12H20FN3O3/c1-15-6-2-3-10(15)19-16(13)9(7-8-4-5-8)11(17)12(14)18/h8-10H,2-7H2,1H3,(H2,14,18)
InChIKeyZNPBPQSNFUMBRN-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.38
Rot. Bonds7

About 4-cyclopropyl-3-[fluoro-(1-methylpyrrolidin-2-yl)oxyamino]-2-oxobutanamide

4-cyclopropyl-3-[fluoro-(1-methylpyrrolidin-2-yl)oxyamino]-2-oxobutanamide (PubChem CID 143314651) has the molecular formula C12H20FN3O3 and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-cyclopropyl-3-[fluoro-(1-methylpyrrolidin-2-yl)oxyamino]-2-oxobutanamide.

Molecular Properties

Compound Name4-cyclopropyl-3-[fluoro-(1-methylpyrrolidin-2-yl)oxyamino]-2-oxobutanamide
PubChem CID143314651
Molecular FormulaC12H20FN3O3
Molecular Weight273.31 g/mol
Exact Mass273.15
IUPAC Name4-cyclopropyl-3-[fluoro-(1-methylpyrrolidin-2-yl)oxyamino]-2-oxobutanamide
SMILESCN1CCCC1ON(F)C(CC1CC1)C(=O)C(N)=O
InChIInChI=1S/C12H20FN3O3/c1-15-6-2-3-10(15)19-16(13)9(7-8-4-5-8)11(17)12(14)18/h8-10H,2-7H2,1H3,(H2,14,18)
InChIKeyZNPBPQSNFUMBRN-UHFFFAOYSA-N
XLogP0.38
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-3,3-dimethylbutanal;azane;4-cyclobutyl-3-[(1,4-dimethylpyrrolidin-2-yl)oxy-fluoroamino]-2-methylidenebutanamide;ethane
CID 143353436
1-methyl-2-(trioxidanyl)pyrrolidine
CID 143169631
(2S)-1-methylpyrrolidine-2-carboxamide
CID 14245857
prop-2-enyl (2R,3R)-3-hydroxy-2-methyl-3-(1-methylpyrrolidin-2-yl)propanoate
CID 137383412
1-methylpyrrolidine-2-carboxamide;hydrochloride
CID 66716063
N-(1-amino-5-cyclobutyl-1,2-dioxopentan-3-yl)-1-methylpyrrolidine-2-carboxamide
CID 143358728
2-amino-1-(1-methylpyrrolidin-2-yl)ethanone
CID 83479164
3-(dimethylamino)-4-(1-methylpyrrolidin-2-yl)butan-2-one
CID 58143490
(2S)-3-amino-2-[(3R)-1-methylpiperidin-3-yl]propanamide
CID 124668280
ethyl 4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxylate
CID 110854043
1-methyl-1-[(1-methylpiperidin-3-yl)methyl]urea
CID 115168460
(2S)-1-methylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 68577881

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-[fluoro-(1-methylpyrrolidin-2-yl)oxyamino]-2-oxobutanamide?
The IUPAC name of 4-cyclopropyl-3-[fluoro-(1-methylpyrrolidin-2-yl)oxyamino]-2-oxobutanamide (CID 143314651) is 4-cyclopropyl-3-[fluoro-(1-methylpyrrolidin-2-yl)oxyamino]-2-oxobutanamide.
What is the SMILES notation for 4-cyclopropyl-3-[fluoro-(1-methylpyrrolidin-2-yl)oxyamino]-2-oxobutanamide?
The canonical SMILES for 4-cyclopropyl-3-[fluoro-(1-methylpyrrolidin-2-yl)oxyamino]-2-oxobutanamide is CN1CCCC1ON(F)C(CC1CC1)C(=O)C(N)=O.
What is the InChIKey of 4-cyclopropyl-3-[fluoro-(1-methylpyrrolidin-2-yl)oxyamino]-2-oxobutanamide?
The InChIKey is ZNPBPQSNFUMBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3O3/c1-15-6-2-3-10(15)19-16(13)9(7-8-4-5-8)11(17)12(14)18/h8-10H,2-7H2,1H3,(H2,14,18).
What are the key properties of 4-cyclopropyl-3-[fluoro-(1-methylpyrrolidin-2-yl)oxyamino]-2-oxobutanamide?
4-cyclopropyl-3-[fluoro-(1-methylpyrrolidin-2-yl)oxyamino]-2-oxobutanamide has a molecular weight of 273.31 g/mol, XLogP of 0.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-[fluoro-(1-methylpyrrolidin-2-yl)oxyamino]-2-oxobutanamide is sourced from PubChem (CID 143314651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).