[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3,5-dimethoxybenzoate

C15H20N2O6 — CID 7727195

IUPAC[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)O[C@@H](C(=O)NC(N)=O)C(C)C)c1
InChIInChI=1S/C15H20N2O6/c1-8(2)12(13(18)17-15(16)20)23-14(19)9-5-10(21-3)7-11(6-9)22-4/h5-8,12H,1-4H3,(H3,16,17,18,20)/t12-/m1/s1
InChIKeyCFFNWIBFQWWQBK-GFCCVEGCSA-N
MW324.33 g/mol
LogP1.08
Rot. Bonds6

About [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3,5-dimethoxybenzoate

[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3,5-dimethoxybenzoate (PubChem CID 7727195) has the molecular formula C15H20N2O6 and a molecular weight of 324.33 g/mol. Its IUPAC name is [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3,5-dimethoxybenzoate.

Molecular Properties

Compound Name[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3,5-dimethoxybenzoate
PubChem CID7727195
Molecular FormulaC15H20N2O6
Molecular Weight324.33 g/mol
Exact Mass324.13
IUPAC Name[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)O[C@@H](C(=O)NC(N)=O)C(C)C)c1
InChIInChI=1S/C15H20N2O6/c1-8(2)12(13(18)17-15(16)20)23-14(19)9-5-10(21-3)7-11(6-9)22-4/h5-8,12H,1-4H3,(H3,16,17,18,20)/t12-/m1/s1
InChIKeyCFFNWIBFQWWQBK-GFCCVEGCSA-N
XLogP1.08
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3,5-dimethoxy-4-methylbenzoate
CID 46795131
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3,5-bis(trifluoromethyl)benzoate
CID 7796157
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-fluorobenzoate
CID 7478298
[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(2-amino-2-oxoethoxy)benzoate
CID 55567972
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-(difluoromethoxy)-3-methoxybenzoate
CID 7213954
[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-phenylbenzoate
CID 18080375
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 40943134
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(4-methoxyphenoxy)acetate
CID 7846762
N-carbamoyl-2-(3,5-dimethoxyanilino)propanamide
CID 43086081
[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-[(4-fluorophenyl)methoxy]benzoate
CID 46816794
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-chlorobenzoate
CID 7866412
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2,4-dichlorobenzoate
CID 7873069

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3,5-dimethoxybenzoate?
The IUPAC name of [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3,5-dimethoxybenzoate (CID 7727195) is [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3,5-dimethoxybenzoate.
What is the SMILES notation for [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3,5-dimethoxybenzoate?
The canonical SMILES for [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3,5-dimethoxybenzoate is COc1cc(OC)cc(C(=O)O[C@@H](C(=O)NC(N)=O)C(C)C)c1.
What is the InChIKey of [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3,5-dimethoxybenzoate?
The InChIKey is CFFNWIBFQWWQBK-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N2O6/c1-8(2)12(13(18)17-15(16)20)23-14(19)9-5-10(21-3)7-11(6-9)22-4/h5-8,12H,1-4H3,(H3,16,17,18,20)/t12-/m1/s1.
What are the key properties of [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3,5-dimethoxybenzoate?
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3,5-dimethoxybenzoate has a molecular weight of 324.33 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3,5-dimethoxybenzoate is sourced from PubChem (CID 7727195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).