methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-morpholin-2-ylethyl)amino]acetate

C14H26N2O5 — CID 68507128

IUPACmethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-morpholin-2-ylethyl)amino]acetate
SMILESCOC(=O)CN(CCC1CNCCO1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O5/c1-14(2,3)21-13(18)16(10-12(17)19-4)7-5-11-9-15-6-8-20-11/h11,15H,5-10H2,1-4H3
InChIKeyGDSGFTIKRMVMRC-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.77
Rot. Bonds5

About methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-morpholin-2-ylethyl)amino]acetate

methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-morpholin-2-ylethyl)amino]acetate (PubChem CID 68507128) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-morpholin-2-ylethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-morpholin-2-ylethyl)amino]acetate
PubChem CID68507128
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Namemethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-morpholin-2-ylethyl)amino]acetate
SMILESCOC(=O)CN(CCC1CNCCO1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O5/c1-14(2,3)21-13(18)16(10-12(17)19-4)7-5-11-9-15-6-8-20-11/h11,15H,5-10H2,1-4H3
InChIKeyGDSGFTIKRMVMRC-UHFFFAOYSA-N
XLogP0.77
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-morpholin-2-ylethyl)amino]acetate?
The IUPAC name of methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-morpholin-2-ylethyl)amino]acetate (CID 68507128) is methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-morpholin-2-ylethyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-morpholin-2-ylethyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-morpholin-2-ylethyl)amino]acetate is COC(=O)CN(CCC1CNCCO1)C(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-morpholin-2-ylethyl)amino]acetate?
The InChIKey is GDSGFTIKRMVMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-14(2,3)21-13(18)16(10-12(17)19-4)7-5-11-9-15-6-8-20-11/h11,15H,5-10H2,1-4H3.
What are the key properties of methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-morpholin-2-ylethyl)amino]acetate?
methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-morpholin-2-ylethyl)amino]acetate has a molecular weight of 302.37 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-morpholin-2-ylethyl)amino]acetate is sourced from PubChem (CID 68507128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).