2-morpholin-4-ylethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C14H26N2O5 — CID 70817853

IUPAC2-morpholin-4-ylethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESC[C@@H](NC(=O)OC(C)(C)C)C(=O)OCCN1CCOCC1
InChIInChI=1S/C14H26N2O5/c1-11(15-13(18)21-14(2,3)4)12(17)20-10-7-16-5-8-19-9-6-16/h11H,5-10H2,1-4H3,(H,15,18)/t11-/m1/s1
InChIKeyICNRQXHKQFOPJN-LLVKDONJSA-N
MW302.37 g/mol
LogP0.77
Rot. Bonds5

About 2-morpholin-4-ylethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

2-morpholin-4-ylethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 70817853) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID70817853
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name2-morpholin-4-ylethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESC[C@@H](NC(=O)OC(C)(C)C)C(=O)OCCN1CCOCC1
InChIInChI=1S/C14H26N2O5/c1-11(15-13(18)21-14(2,3)4)12(17)20-10-7-16-5-8-19-9-6-16/h11H,5-10H2,1-4H3,(H,15,18)/t11-/m1/s1
InChIKeyICNRQXHKQFOPJN-LLVKDONJSA-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 2-morpholin-4-ylethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of 2-morpholin-4-ylethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 70817853) is 2-morpholin-4-ylethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for 2-morpholin-4-ylethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for 2-morpholin-4-ylethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is C[C@@H](NC(=O)OC(C)(C)C)C(=O)OCCN1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is ICNRQXHKQFOPJN-LLVKDONJSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-11(15-13(18)21-14(2,3)4)12(17)20-10-7-16-5-8-19-9-6-16/h11H,5-10H2,1-4H3,(H,15,18)/t11-/m1/s1.
What are the key properties of 2-morpholin-4-ylethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
2-morpholin-4-ylethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate 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 2-morpholin-4-ylethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 70817853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).