methyl 4-[[(2R)-1-methoxy-1-oxopropan-2-yl]amino]-2,2-dimethyl-4-oxobutanoate

C11H19NO5 — CID 54040646

IUPACmethyl 4-[[(2R)-1-methoxy-1-oxopropan-2-yl]amino]-2,2-dimethyl-4-oxobutanoate
SMILESCOC(=O)[C@@H](C)NC(=O)CC(C)(C)C(=O)OC
InChIInChI=1S/C11H19NO5/c1-7(9(14)16-4)12-8(13)6-11(2,3)10(15)17-5/h7H,6H2,1-5H3,(H,12,13)/t7-/m1/s1
InChIKeyLMBQYYLSTFPIRU-SSDOTTSWSA-N
MW245.27 g/mol
LogP0.25
Rot. Bonds5

About methyl 4-[[(2R)-1-methoxy-1-oxopropan-2-yl]amino]-2,2-dimethyl-4-oxobutanoate

methyl 4-[[(2R)-1-methoxy-1-oxopropan-2-yl]amino]-2,2-dimethyl-4-oxobutanoate (PubChem CID 54040646) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is methyl 4-[[(2R)-1-methoxy-1-oxopropan-2-yl]amino]-2,2-dimethyl-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-[[(2R)-1-methoxy-1-oxopropan-2-yl]amino]-2,2-dimethyl-4-oxobutanoate
PubChem CID54040646
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Namemethyl 4-[[(2R)-1-methoxy-1-oxopropan-2-yl]amino]-2,2-dimethyl-4-oxobutanoate
SMILESCOC(=O)[C@@H](C)NC(=O)CC(C)(C)C(=O)OC
InChIInChI=1S/C11H19NO5/c1-7(9(14)16-4)12-8(13)6-11(2,3)10(15)17-5/h7H,6H2,1-5H3,(H,12,13)/t7-/m1/s1
InChIKeyLMBQYYLSTFPIRU-SSDOTTSWSA-N
XLogP0.25
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2R)-1-methoxy-1-oxopropan-2-yl]amino]-2,2-dimethyl-4-oxobutanoate?
The IUPAC name of methyl 4-[[(2R)-1-methoxy-1-oxopropan-2-yl]amino]-2,2-dimethyl-4-oxobutanoate (CID 54040646) is methyl 4-[[(2R)-1-methoxy-1-oxopropan-2-yl]amino]-2,2-dimethyl-4-oxobutanoate.
What is the SMILES notation for methyl 4-[[(2R)-1-methoxy-1-oxopropan-2-yl]amino]-2,2-dimethyl-4-oxobutanoate?
The canonical SMILES for methyl 4-[[(2R)-1-methoxy-1-oxopropan-2-yl]amino]-2,2-dimethyl-4-oxobutanoate is COC(=O)[C@@H](C)NC(=O)CC(C)(C)C(=O)OC.
What is the InChIKey of methyl 4-[[(2R)-1-methoxy-1-oxopropan-2-yl]amino]-2,2-dimethyl-4-oxobutanoate?
The InChIKey is LMBQYYLSTFPIRU-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H19NO5/c1-7(9(14)16-4)12-8(13)6-11(2,3)10(15)17-5/h7H,6H2,1-5H3,(H,12,13)/t7-/m1/s1.
What are the key properties of methyl 4-[[(2R)-1-methoxy-1-oxopropan-2-yl]amino]-2,2-dimethyl-4-oxobutanoate?
methyl 4-[[(2R)-1-methoxy-1-oxopropan-2-yl]amino]-2,2-dimethyl-4-oxobutanoate has a molecular weight of 245.27 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2R)-1-methoxy-1-oxopropan-2-yl]amino]-2,2-dimethyl-4-oxobutanoate is sourced from PubChem (CID 54040646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).