2-[6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid

C13H23NO5 — CID 155820057

IUPAC2-[6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CC(C)(C)OCC1CC(=O)O
InChIInChI=1S/C13H23NO5/c1-12(2,3)19-11(17)14-8-13(4,5)18-7-9(14)6-10(15)16/h9H,6-8H2,1-5H3,(H,15,16)
InChIKeyDEUUVDYJDPFEHX-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.88
Rot. Bonds2

About 2-[6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid

2-[6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid (PubChem CID 155820057) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid
PubChem CID155820057
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name2-[6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CC(C)(C)OCC1CC(=O)O
InChIInChI=1S/C13H23NO5/c1-12(2,3)19-11(17)14-8-13(4,5)18-7-9(14)6-10(15)16/h9H,6-8H2,1-5H3,(H,15,16)
InChIKeyDEUUVDYJDPFEHX-UHFFFAOYSA-N
XLogP1.88
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid?
The IUPAC name of 2-[6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid (CID 155820057) is 2-[6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid is CC(C)(C)OC(=O)N1CC(C)(C)OCC1CC(=O)O.
What is the InChIKey of 2-[6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid?
The InChIKey is DEUUVDYJDPFEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-12(2,3)19-11(17)14-8-13(4,5)18-7-9(14)6-10(15)16/h9H,6-8H2,1-5H3,(H,15,16).
What are the key properties of 2-[6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid?
2-[6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid has a molecular weight of 273.33 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid is sourced from PubChem (CID 155820057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).