methyl 2-(hydroxymethyl)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

C11H21NO5 — CID 14106349

IUPACmethyl 2-(hydroxymethyl)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESCOC(=O)C(CO)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO5/c1-11(2,3)17-10(15)12(4)6-8(7-13)9(14)16-5/h8,13H,6-7H2,1-5H3
InChIKeyKUNOSIAOXSNNTF-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.63
Rot. Bonds4

About methyl 2-(hydroxymethyl)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

methyl 2-(hydroxymethyl)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (PubChem CID 14106349) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is methyl 2-(hydroxymethyl)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-(hydroxymethyl)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
PubChem CID14106349
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Namemethyl 2-(hydroxymethyl)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESCOC(=O)C(CO)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO5/c1-11(2,3)17-10(15)12(4)6-8(7-13)9(14)16-5/h8,13H,6-7H2,1-5H3
InChIKeyKUNOSIAOXSNNTF-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(hydroxymethyl)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The IUPAC name of methyl 2-(hydroxymethyl)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (CID 14106349) is methyl 2-(hydroxymethyl)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.
What is the SMILES notation for methyl 2-(hydroxymethyl)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The canonical SMILES for methyl 2-(hydroxymethyl)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is COC(=O)C(CO)CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-(hydroxymethyl)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The InChIKey is KUNOSIAOXSNNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5/c1-11(2,3)17-10(15)12(4)6-8(7-13)9(14)16-5/h8,13H,6-7H2,1-5H3.
What are the key properties of methyl 2-(hydroxymethyl)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
methyl 2-(hydroxymethyl)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate has a molecular weight of 247.29 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(hydroxymethyl)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is sourced from PubChem (CID 14106349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).