[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate

C15H19FN2O5 — CID 46609589

IUPAC[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OC(C(=O)NC(N)=O)C(C)C)cc1F
InChIInChI=1S/C15H19FN2O5/c1-8(2)13(14(20)18-15(17)21)23-12(19)7-9-4-5-11(22-3)10(16)6-9/h4-6,8,13H,7H2,1-3H3,(H3,17,18,20,21)
InChIKeyWZUNXZKAAIHTFA-UHFFFAOYSA-N
MW326.32 g/mol
LogP1.14
Rot. Bonds6

About [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate

[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate (PubChem CID 46609589) has the molecular formula C15H19FN2O5 and a molecular weight of 326.32 g/mol. Its IUPAC name is [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
PubChem CID46609589
Molecular FormulaC15H19FN2O5
Molecular Weight326.32 g/mol
Exact Mass326.13
IUPAC Name[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OC(C(=O)NC(N)=O)C(C)C)cc1F
InChIInChI=1S/C15H19FN2O5/c1-8(2)13(14(20)18-15(17)21)23-12(19)7-9-4-5-11(22-3)10(16)6-9/h4-6,8,13H,7H2,1-3H3,(H3,17,18,20,21)
InChIKeyWZUNXZKAAIHTFA-UHFFFAOYSA-N
XLogP1.14
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667574
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(4-acetamidophenyl)acetate
CID 8611118
(2S)-N-carbamoyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide
CID 8681047
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667346
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667089
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667306
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667288
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-thiophen-3-ylacetate
CID 7968677
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667212
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667211
3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-one
CID 116708613
[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667275

Frequently Asked Questions

What is the IUPAC name of [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate?
The IUPAC name of [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate (CID 46609589) is [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate.
What is the SMILES notation for [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate?
The canonical SMILES for [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate is COc1ccc(CC(=O)OC(C(=O)NC(N)=O)C(C)C)cc1F.
What is the InChIKey of [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate?
The InChIKey is WZUNXZKAAIHTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O5/c1-8(2)13(14(20)18-15(17)21)23-12(19)7-9-4-5-11(22-3)10(16)6-9/h4-6,8,13H,7H2,1-3H3,(H3,17,18,20,21).
What are the key properties of [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate?
[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate has a molecular weight of 326.32 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate is sourced from PubChem (CID 46609589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).