N-[(2S)-1-aminopropan-2-yl]-2-fluoro-3-methylbut-2-enamide

C8H15FN2O — CID 130652438

IUPACN-[(2S)-1-aminopropan-2-yl]-2-fluoro-3-methylbut-2-enamide
SMILESCC(C)=C(F)C(=O)N[C@@H](C)CN
InChIInChI=1S/C8H15FN2O/c1-5(2)7(9)8(12)11-6(3)4-10/h6H,4,10H2,1-3H3,(H,11,12)/t6-/m0/s1
InChIKeyVNJRJAGSPLAIGK-LURJTMIESA-N
MW174.22 g/mol
LogP0.71
Rot. Bonds3

About N-[(2S)-1-aminopropan-2-yl]-2-fluoro-3-methylbut-2-enamide

N-[(2S)-1-aminopropan-2-yl]-2-fluoro-3-methylbut-2-enamide (PubChem CID 130652438) has the molecular formula C8H15FN2O and a molecular weight of 174.22 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-fluoro-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-fluoro-3-methylbut-2-enamide
PubChem CID130652438
Molecular FormulaC8H15FN2O
Molecular Weight174.22 g/mol
Exact Mass174.12
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-fluoro-3-methylbut-2-enamide
SMILESCC(C)=C(F)C(=O)N[C@@H](C)CN
InChIInChI=1S/C8H15FN2O/c1-5(2)7(9)8(12)11-6(3)4-10/h6H,4,10H2,1-3H3,(H,11,12)/t6-/m0/s1
InChIKeyVNJRJAGSPLAIGK-LURJTMIESA-N
XLogP0.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[(2S)-1-aminopropan-2-yl]-2-fluoro-3-methylbut-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-3-fluoro-2-methyl-N-propan-2-ylbut-2-enamide
CID 89092817
(Z)-3-fluoro-2-methyl-N-propylbut-2-enamide
CID 117883121
(E)-3-fluoro-2-methyl-N-propan-2-ylbut-2-enamide
CID 168082244
3-methyl-N-[3,3,3-trifluoro-2-(3-methylbut-2-enoylamino)propyl]but-2-enamide
CID 122141099
3-methyl-N-[(2S)-3,3,3-trifluoro-2-(3-methylbut-2-enoylamino)propyl]but-2-enamide
CID 125532042
3-methyl-N-[(2R)-3,3,3-trifluoro-2-(3-methylbut-2-enoylamino)propyl]but-2-enamide
CID 125532044
N-butan-2-yl-2-fluoro-3-methylbut-2-enamide
CID 126995576
N-(2-aminocyclopropyl)-2-fluoro-3-methylbut-2-enamide
CID 130616957
N-[(2R)-1-amino-1-oxopropan-2-yl]-2-fluoro-3-methylbut-2-enamide
CID 130662735
1-(3-Aminopyrrolidin-1-yl)-2-fluoro-3-methylbut-2-en-1-one
CID 130684216
N-cyclopropyl-2-fluoro-3-methylbut-2-enamide
CID 130700366
2-Fluoro-3-methyl-1-[3-(methylamino)pyrrolidin-1-yl]but-2-en-1-one
CID 130763118

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-fluoro-3-methylbut-2-enamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-fluoro-3-methylbut-2-enamide (CID 130652438) is N-[(2S)-1-aminopropan-2-yl]-2-fluoro-3-methylbut-2-enamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-fluoro-3-methylbut-2-enamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-fluoro-3-methylbut-2-enamide is CC(C)=C(F)C(=O)N[C@@H](C)CN.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-fluoro-3-methylbut-2-enamide?
The InChIKey is VNJRJAGSPLAIGK-LURJTMIESA-N. The full InChI is InChI=1S/C8H15FN2O/c1-5(2)7(9)8(12)11-6(3)4-10/h6H,4,10H2,1-3H3,(H,11,12)/t6-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-fluoro-3-methylbut-2-enamide?
N-[(2S)-1-aminopropan-2-yl]-2-fluoro-3-methylbut-2-enamide has a molecular weight of 174.22 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-fluoro-3-methylbut-2-enamide is sourced from PubChem (CID 130652438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).