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

C17H24N2O6 — CID 7791151

IUPAC[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2-propoxyphenoxy)acetate
SMILESCCCOc1ccccc1OCC(=O)O[C@H](C(=O)NC(N)=O)C(C)C
InChIInChI=1S/C17H24N2O6/c1-4-9-23-12-7-5-6-8-13(12)24-10-14(20)25-15(11(2)3)16(21)19-17(18)22/h5-8,11,15H,4,9-10H2,1-3H3,(H3,18,19,21,22)/t15-/m0/s1
InChIKeyONOYZJWJAOURPG-HNNXBMFYSA-N
MW352.39 g/mol
LogP1.62
Rot. Bonds9

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

[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2-propoxyphenoxy)acetate (PubChem CID 7791151) has the molecular formula C17H24N2O6 and a molecular weight of 352.39 g/mol. Its IUPAC name is [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2-propoxyphenoxy)acetate.

Molecular Properties

Compound Name[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2-propoxyphenoxy)acetate
PubChem CID7791151
Molecular FormulaC17H24N2O6
Molecular Weight352.39 g/mol
Exact Mass352.16
IUPAC Name[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2-propoxyphenoxy)acetate
SMILESCCCOc1ccccc1OCC(=O)O[C@H](C(=O)NC(N)=O)C(C)C
InChIInChI=1S/C17H24N2O6/c1-4-9-23-12-7-5-6-8-13(12)24-10-14(20)25-15(11(2)3)16(21)19-17(18)22/h5-8,11,15H,4,9-10H2,1-3H3,(H3,18,19,21,22)/t15-/m0/s1
InChIKeyONOYZJWJAOURPG-HNNXBMFYSA-N
XLogP1.62
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.62
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-(2,5-dimethylphenoxy)acetate
CID 8918373
[(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-(4-methoxyphenoxy)acetate
CID 7846762
[(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] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 7855728
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-(2-ethoxyphenoxy)butanoate
CID 7147645
[(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate
CID 8850905
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2S)-2-phenylbutanoate
CID 7811330
N-(3-methylbutan-2-yl)-2-(2-propoxyphenoxy)acetamide
CID 78767914
[(2R)-1-amino-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 7854087
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate
CID 7791157

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2-propoxyphenoxy)acetate?
The IUPAC name of [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2-propoxyphenoxy)acetate (CID 7791151) is [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2-propoxyphenoxy)acetate.
What is the SMILES notation for [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2-propoxyphenoxy)acetate?
The canonical SMILES for [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2-propoxyphenoxy)acetate is CCCOc1ccccc1OCC(=O)O[C@H](C(=O)NC(N)=O)C(C)C.
What is the InChIKey of [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2-propoxyphenoxy)acetate?
The InChIKey is ONOYZJWJAOURPG-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N2O6/c1-4-9-23-12-7-5-6-8-13(12)24-10-14(20)25-15(11(2)3)16(21)19-17(18)22/h5-8,11,15H,4,9-10H2,1-3H3,(H3,18,19,21,22)/t15-/m0/s1.
What are the key properties of [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2-propoxyphenoxy)acetate?
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2-propoxyphenoxy)acetate has a molecular weight of 352.39 g/mol, XLogP of 1.62, 9 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-(2-propoxyphenoxy)acetate is sourced from PubChem (CID 7791151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).