N-[(2R)-1-amino-1-oxopropan-2-yl]-2-fluoro-3-methylbut-2-enamide

C8H13FN2O2 — CID 130662735

IUPACN-[(2R)-1-amino-1-oxopropan-2-yl]-2-fluoro-3-methylbut-2-enamide
SMILESCC(C)=C(F)C(=O)N[C@H](C)C(N)=O
InChIInChI=1S/C8H13FN2O2/c1-4(2)6(9)8(13)11-5(3)7(10)12/h5H,1-3H3,(H2,10,12)(H,11,13)/t5-/m1/s1
InChIKeyOANHSICDEJELKB-RXMQYKEDSA-N
MW188.20 g/mol
LogP0.24
Rot. Bonds3

About N-[(2R)-1-amino-1-oxopropan-2-yl]-2-fluoro-3-methylbut-2-enamide

N-[(2R)-1-amino-1-oxopropan-2-yl]-2-fluoro-3-methylbut-2-enamide (PubChem CID 130662735) has the molecular formula C8H13FN2O2 and a molecular weight of 188.20 g/mol. Its IUPAC name is N-[(2R)-1-amino-1-oxopropan-2-yl]-2-fluoro-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-[(2R)-1-amino-1-oxopropan-2-yl]-2-fluoro-3-methylbut-2-enamide
PubChem CID130662735
Molecular FormulaC8H13FN2O2
Molecular Weight188.20 g/mol
Exact Mass188.10
IUPAC NameN-[(2R)-1-amino-1-oxopropan-2-yl]-2-fluoro-3-methylbut-2-enamide
SMILESCC(C)=C(F)C(=O)N[C@H](C)C(N)=O
InChIInChI=1S/C8H13FN2O2/c1-4(2)6(9)8(13)11-5(3)7(10)12/h5H,1-3H3,(H2,10,12)(H,11,13)/t5-/m1/s1
InChIKeyOANHSICDEJELKB-RXMQYKEDSA-N
XLogP0.24
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-amino-1-oxopropan-2-yl]-2-fluoro-3-methylbut-2-enamide?
The IUPAC name of N-[(2R)-1-amino-1-oxopropan-2-yl]-2-fluoro-3-methylbut-2-enamide (CID 130662735) is N-[(2R)-1-amino-1-oxopropan-2-yl]-2-fluoro-3-methylbut-2-enamide.
What is the SMILES notation for N-[(2R)-1-amino-1-oxopropan-2-yl]-2-fluoro-3-methylbut-2-enamide?
The canonical SMILES for N-[(2R)-1-amino-1-oxopropan-2-yl]-2-fluoro-3-methylbut-2-enamide is CC(C)=C(F)C(=O)N[C@H](C)C(N)=O.
What is the InChIKey of N-[(2R)-1-amino-1-oxopropan-2-yl]-2-fluoro-3-methylbut-2-enamide?
The InChIKey is OANHSICDEJELKB-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H13FN2O2/c1-4(2)6(9)8(13)11-5(3)7(10)12/h5H,1-3H3,(H2,10,12)(H,11,13)/t5-/m1/s1.
What are the key properties of N-[(2R)-1-amino-1-oxopropan-2-yl]-2-fluoro-3-methylbut-2-enamide?
N-[(2R)-1-amino-1-oxopropan-2-yl]-2-fluoro-3-methylbut-2-enamide has a molecular weight of 188.20 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-amino-1-oxopropan-2-yl]-2-fluoro-3-methylbut-2-enamide is sourced from PubChem (CID 130662735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).