2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-2-yl]propanoic acid

C13H24N2O5 — CID 167343907

IUPAC2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-2-yl]propanoic acid
SMILESCC(C(=O)O)C1CNC(CNC(=O)OC(C)(C)C)CO1
InChIInChI=1S/C13H24N2O5/c1-8(11(16)17)10-6-14-9(7-19-10)5-15-12(18)20-13(2,3)4/h8-10,14H,5-7H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyLMSRBPFOSXGCAF-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.59
Rot. Bonds4

About 2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-2-yl]propanoic acid

2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-2-yl]propanoic acid (PubChem CID 167343907) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-2-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-2-yl]propanoic acid
PubChem CID167343907
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-2-yl]propanoic acid
SMILESCC(C(=O)O)C1CNC(CNC(=O)OC(C)(C)C)CO1
InChIInChI=1S/C13H24N2O5/c1-8(11(16)17)10-6-14-9(7-19-10)5-15-12(18)20-13(2,3)4/h8-10,14H,5-7H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyLMSRBPFOSXGCAF-UHFFFAOYSA-N
XLogP0.59
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-2-yl]propanoic acid?
The IUPAC name of 2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-2-yl]propanoic acid (CID 167343907) is 2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-2-yl]propanoic acid.
What is the SMILES notation for 2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-2-yl]propanoic acid?
The canonical SMILES for 2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-2-yl]propanoic acid is CC(C(=O)O)C1CNC(CNC(=O)OC(C)(C)C)CO1.
What is the InChIKey of 2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-2-yl]propanoic acid?
The InChIKey is LMSRBPFOSXGCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-8(11(16)17)10-6-14-9(7-19-10)5-15-12(18)20-13(2,3)4/h8-10,14H,5-7H2,1-4H3,(H,15,18)(H,16,17).
What are the key properties of 2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-2-yl]propanoic acid?
2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-2-yl]propanoic acid has a molecular weight of 288.34 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-2-yl]propanoic acid is sourced from PubChem (CID 167343907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).