N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-fluorocyclopropane-1-carboxamide

C11H19FN2O2 — CID 145466311

IUPACN-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCNC(=O)C(NC(=O)C1CC1F)C(C)(C)C
InChIInChI=1S/C11H19FN2O2/c1-11(2,3)8(10(16)13-4)14-9(15)6-5-7(6)12/h6-8H,5H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyKYQRPYIATYCGHF-UHFFFAOYSA-N
MW230.28 g/mol
LogP0.62
Rot. Bonds3

About N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-fluorocyclopropane-1-carboxamide

N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 145466311) has the molecular formula C11H19FN2O2 and a molecular weight of 230.28 g/mol. Its IUPAC name is N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID145466311
Molecular FormulaC11H19FN2O2
Molecular Weight230.28 g/mol
Exact Mass230.14
IUPAC NameN-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCNC(=O)C(NC(=O)C1CC1F)C(C)(C)C
InChIInChI=1S/C11H19FN2O2/c1-11(2,3)8(10(16)13-4)14-9(15)6-5-7(6)12/h6-8H,5H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyKYQRPYIATYCGHF-UHFFFAOYSA-N
XLogP0.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(Carbamoylmethyl)-2-acetamido-3-methylbutanamide
CID 644829
US8722896, N-[(2S)-2-Aminopropanoyl]-(2S)-valylamide
CID 58080388
3-methyl-N-{2-[(3-methylbutanoyl)amino]propyl}butanamide
CID 2931090
N-{2-[(3,3-dimethylbutanoyl)amino]-1-methylethyl}-3,3-dimethylbutanamide
CID 4360846
L-alanyl-L-valinamide
CID 7019981
(2S)-2-amino-3-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide
CID 10537384
N-[2-(2,2-dimethylpropylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 71937705
N-Acetyl L-valinamide
CID 142227
Ac-val-nh2
CID 7021426
US8722896, N-[(2S)-2-Aminopropanoyl]-(2R)-valylamide
CID 58080472
(2S)-2-amino-N-[2-[[(2S)-2-amino-3-methylbutanoyl]amino]ethyl]-3-methylbutanamide
CID 10782706
(2s)-1-{[(2s)-1-Amino-3-Methyl-1-Oxobutan-2-Yl]amino}-1-Oxopropan-2-Aminium
CID 7019980

Frequently Asked Questions

What is the IUPAC name of N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 145466311) is N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-fluorocyclopropane-1-carboxamide is CNC(=O)C(NC(=O)C1CC1F)C(C)(C)C.
What is the InChIKey of N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is KYQRPYIATYCGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O2/c1-11(2,3)8(10(16)13-4)14-9(15)6-5-7(6)12/h6-8H,5H2,1-4H3,(H,13,16)(H,14,15).
What are the key properties of N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-fluorocyclopropane-1-carboxamide?
N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 230.28 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 145466311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).