methyl (2S)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanoate

C13H25NO4 — CID 10890611

IUPACmethyl (2S)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanoate
SMILESCOC(=O)[C@H](CC(C)C)NCC(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO4/c1-9(2)7-10(12(16)17-6)14-8-11(15)18-13(3,4)5/h9-10,14H,7-8H2,1-6H3/t10-/m0/s1
InChIKeyJSPVGPACDFFPBU-JTQLQIEISA-N
MW259.35 g/mol
LogP1.51
Rot. Bonds6

About methyl (2S)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanoate

methyl (2S)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanoate (PubChem CID 10890611) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is methyl (2S)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl (2S)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanoate
PubChem CID10890611
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Namemethyl (2S)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanoate
SMILESCOC(=O)[C@H](CC(C)C)NCC(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO4/c1-9(2)7-10(12(16)17-6)14-8-11(15)18-13(3,4)5/h9-10,14H,7-8H2,1-6H3/t10-/m0/s1
InChIKeyJSPVGPACDFFPBU-JTQLQIEISA-N
XLogP1.51
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanoate?
The IUPAC name of methyl (2S)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanoate (CID 10890611) is methyl (2S)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanoate.
What is the SMILES notation for methyl (2S)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanoate?
The canonical SMILES for methyl (2S)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanoate is COC(=O)[C@H](CC(C)C)NCC(=O)OC(C)(C)C.
What is the InChIKey of methyl (2S)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanoate?
The InChIKey is JSPVGPACDFFPBU-JTQLQIEISA-N. The full InChI is InChI=1S/C13H25NO4/c1-9(2)7-10(12(16)17-6)14-8-11(15)18-13(3,4)5/h9-10,14H,7-8H2,1-6H3/t10-/m0/s1.
What are the key properties of methyl (2S)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanoate?
methyl (2S)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanoate has a molecular weight of 259.35 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanoate is sourced from PubChem (CID 10890611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).