methyl 4-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate

C11H21NO5 — CID 123782260

IUPACmethyl 4-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
SMILESCOC(=O)C(CCO)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO5/c1-11(2,3)17-10(15)12(4)8(6-7-13)9(14)16-5/h8,13H,6-7H2,1-5H3
InChIKeyRZDOBONPFPWXRP-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.78
Rot. Bonds4

About methyl 4-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate

methyl 4-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate (PubChem CID 123782260) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is methyl 4-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 4-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
PubChem CID123782260
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Namemethyl 4-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
SMILESCOC(=O)C(CCO)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO5/c1-11(2,3)17-10(15)12(4)8(6-7-13)9(14)16-5/h8,13H,6-7H2,1-5H3
InChIKeyRZDOBONPFPWXRP-UHFFFAOYSA-N
XLogP0.78
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate?
The IUPAC name of methyl 4-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate (CID 123782260) is methyl 4-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate.
What is the SMILES notation for methyl 4-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate?
The canonical SMILES for methyl 4-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate is COC(=O)C(CCO)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of methyl 4-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate?
The InChIKey is RZDOBONPFPWXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5/c1-11(2,3)17-10(15)12(4)8(6-7-13)9(14)16-5/h8,13H,6-7H2,1-5H3.
What are the key properties of methyl 4-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate?
methyl 4-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate has a molecular weight of 247.29 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate is sourced from PubChem (CID 123782260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).