2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-morpholin-4-yl-4-oxobutanoic acid

C13H22N2O6 — CID 18476657

IUPAC2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-morpholin-4-yl-4-oxobutanoic acid
SMILESCC(C)(C)OC(=O)NC(CC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C13H22N2O6/c1-13(2,3)21-12(19)14-9(11(17)18)8-10(16)15-4-6-20-7-5-15/h9H,4-8H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyFONYLTWNTPQAHI-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.21
Rot. Bonds4

About 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-morpholin-4-yl-4-oxobutanoic acid

2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-morpholin-4-yl-4-oxobutanoic acid (PubChem CID 18476657) has the molecular formula C13H22N2O6 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-morpholin-4-yl-4-oxobutanoic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-morpholin-4-yl-4-oxobutanoic acid
PubChem CID18476657
Molecular FormulaC13H22N2O6
Molecular Weight302.33 g/mol
Exact Mass302.15
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-morpholin-4-yl-4-oxobutanoic acid
SMILESCC(C)(C)OC(=O)NC(CC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C13H22N2O6/c1-13(2,3)21-12(19)14-9(11(17)18)8-10(16)15-4-6-20-7-5-15/h9H,4-8H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyFONYLTWNTPQAHI-UHFFFAOYSA-N
XLogP0.21
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-morpholin-4-yl-4-oxobutanoic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-morpholin-4-yl-4-oxobutanoic acid (CID 18476657) is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-morpholin-4-yl-4-oxobutanoic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-morpholin-4-yl-4-oxobutanoic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-morpholin-4-yl-4-oxobutanoic acid is CC(C)(C)OC(=O)NC(CC(=O)N1CCOCC1)C(=O)O.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-morpholin-4-yl-4-oxobutanoic acid?
The InChIKey is FONYLTWNTPQAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O6/c1-13(2,3)21-12(19)14-9(11(17)18)8-10(16)15-4-6-20-7-5-15/h9H,4-8H2,1-3H3,(H,14,19)(H,17,18).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-morpholin-4-yl-4-oxobutanoic acid?
2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-morpholin-4-yl-4-oxobutanoic acid has a molecular weight of 302.33 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-morpholin-4-yl-4-oxobutanoic acid is sourced from PubChem (CID 18476657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).