[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(4-methoxyphenoxy)acetate

C15H20N2O6 — CID 7846762

IUPAC[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)O[C@H](C(=O)NC(N)=O)C(C)C)cc1
InChIInChI=1S/C15H20N2O6/c1-9(2)13(14(19)17-15(16)20)23-12(18)8-22-11-6-4-10(21-3)5-7-11/h4-7,9,13H,8H2,1-3H3,(H3,16,17,19,20)/t13-/m0/s1
InChIKeyHCLXSHHKVISUPG-ZDUSSCGKSA-N
MW324.33 g/mol
LogP0.84
Rot. Bonds7

About [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(4-methoxyphenoxy)acetate

[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(4-methoxyphenoxy)acetate (PubChem CID 7846762) has the molecular formula C15H20N2O6 and a molecular weight of 324.33 g/mol. Its IUPAC name is [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(4-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(4-methoxyphenoxy)acetate
PubChem CID7846762
Molecular FormulaC15H20N2O6
Molecular Weight324.33 g/mol
Exact Mass324.13
IUPAC Name[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)O[C@H](C(=O)NC(N)=O)C(C)C)cc1
InChIInChI=1S/C15H20N2O6/c1-9(2)13(14(19)17-15(16)20)23-12(18)8-22-11-6-4-10(21-3)5-7-11/h4-7,9,13H,8H2,1-3H3,(H3,16,17,19,20)/t13-/m0/s1
InChIKeyHCLXSHHKVISUPG-ZDUSSCGKSA-N
XLogP0.84
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-phenoxyacetate
CID 7980312
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(4-benzoylphenoxy)acetate
CID 7839628
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2,5-dimethylphenoxy)acetate
CID 8918373
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2-propoxyphenoxy)acetate
CID 7791151
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-tert-butylphenoxy)propanoate
CID 7855981
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844184
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate
CID 2078238
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 8525701
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3,5-dimethoxybenzoate
CID 7727195
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)acetate
CID 7846685
[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(2-amino-2-oxoethoxy)benzoate
CID 55567972
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 7846620

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(4-methoxyphenoxy)acetate?
The IUPAC name of [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(4-methoxyphenoxy)acetate (CID 7846762) is [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(4-methoxyphenoxy)acetate.
What is the SMILES notation for [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(4-methoxyphenoxy)acetate?
The canonical SMILES for [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(4-methoxyphenoxy)acetate is COc1ccc(OCC(=O)O[C@H](C(=O)NC(N)=O)C(C)C)cc1.
What is the InChIKey of [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(4-methoxyphenoxy)acetate?
The InChIKey is HCLXSHHKVISUPG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O6/c1-9(2)13(14(19)17-15(16)20)23-12(18)8-22-11-6-4-10(21-3)5-7-11/h4-7,9,13H,8H2,1-3H3,(H3,16,17,19,20)/t13-/m0/s1.
What are the key properties of [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(4-methoxyphenoxy)acetate?
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(4-methoxyphenoxy)acetate has a molecular weight of 324.33 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(4-methoxyphenoxy)acetate is sourced from PubChem (CID 7846762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).