methyl 3-hydroxy-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate

C11H21NO5 — CID 22080593

IUPACmethyl 3-hydroxy-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
SMILESCOC(=O)C(NCC(=O)OC(C)(C)C)C(C)O
InChIInChI=1S/C11H21NO5/c1-7(13)9(10(15)16-5)12-6-8(14)17-11(2,3)4/h7,9,12-13H,6H2,1-5H3
InChIKeyPGAQSDSCGQFBOB-UHFFFAOYSA-N
MW247.29 g/mol
LogP-0.16
Rot. Bonds5

About methyl 3-hydroxy-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate

methyl 3-hydroxy-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate (PubChem CID 22080593) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is methyl 3-hydroxy-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
PubChem CID22080593
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Namemethyl 3-hydroxy-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
SMILESCOC(=O)C(NCC(=O)OC(C)(C)C)C(C)O
InChIInChI=1S/C11H21NO5/c1-7(13)9(10(15)16-5)12-6-8(14)17-11(2,3)4/h7,9,12-13H,6H2,1-5H3
InChIKeyPGAQSDSCGQFBOB-UHFFFAOYSA-N
XLogP-0.16
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate?
The IUPAC name of methyl 3-hydroxy-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate (CID 22080593) is methyl 3-hydroxy-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate.
What is the SMILES notation for methyl 3-hydroxy-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate?
The canonical SMILES for methyl 3-hydroxy-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate is COC(=O)C(NCC(=O)OC(C)(C)C)C(C)O.
What is the InChIKey of methyl 3-hydroxy-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate?
The InChIKey is PGAQSDSCGQFBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5/c1-7(13)9(10(15)16-5)12-6-8(14)17-11(2,3)4/h7,9,12-13H,6H2,1-5H3.
What are the key properties of methyl 3-hydroxy-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate?
methyl 3-hydroxy-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate has a molecular weight of 247.29 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate is sourced from PubChem (CID 22080593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).