(2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid

C10H17NO5 — CID 6559076

IUPAC(2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCO[C@@H](C(=O)O)C1
InChIInChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-4-5-15-7(6-11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m1/s1
InChIKeyLGWMTRPJZFEWCX-SSDOTTSWSA-N
MW231.25 g/mol
LogP0.71
Rot. Bonds1

About (2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid

(2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid (PubChem CID 6559076) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is (2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid
PubChem CID6559076
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name(2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCO[C@@H](C(=O)O)C1
InChIInChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-4-5-15-7(6-11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m1/s1
InChIKeyLGWMTRPJZFEWCX-SSDOTTSWSA-N
XLogP0.71
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid (CID 6559076) is (2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid is CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)O)C1.
What is the InChIKey of (2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid?
The InChIKey is LGWMTRPJZFEWCX-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-4-5-15-7(6-11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m1/s1.
What are the key properties of (2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid?
(2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 6559076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).