methyl 3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate

C11H20N2O5 — CID 47451904

IUPACmethyl 3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O5/c1-11(2,3)18-10(16)13-7-8(14)12-6-5-9(15)17-4/h5-7H2,1-4H3,(H,12,14)(H,13,16)
InChIKeyJHJUIAQENVKUDR-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.19
Rot. Bonds5

About methyl 3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate

methyl 3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate (PubChem CID 47451904) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl 3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate
PubChem CID47451904
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Namemethyl 3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O5/c1-11(2,3)18-10(16)13-7-8(14)12-6-5-9(15)17-4/h5-7H2,1-4H3,(H,12,14)(H,13,16)
InChIKeyJHJUIAQENVKUDR-UHFFFAOYSA-N
XLogP0.19
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate?
The IUPAC name of methyl 3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate (CID 47451904) is methyl 3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate?
The canonical SMILES for methyl 3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate is COC(=O)CCNC(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of methyl 3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate?
The InChIKey is JHJUIAQENVKUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-11(2,3)18-10(16)13-7-8(14)12-6-5-9(15)17-4/h5-7H2,1-4H3,(H,12,14)(H,13,16).
What are the key properties of methyl 3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate?
methyl 3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate has a molecular weight of 260.29 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate is sourced from PubChem (CID 47451904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).