(2R,3S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid

C11H19NO5 — CID 86306040

IUPAC(2R,3S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid
SMILESC[C@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)O
InChIInChI=1S/C11H19NO5/c1-7-8(9(13)14)12(5-6-16-7)10(15)17-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)/t7-,8+/m1/s1
InChIKeyXUJUXKBCUVWHIX-SFYZADRCSA-N
MW245.27 g/mol
LogP1.10
Rot. Bonds1

About (2R,3S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid

(2R,3S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid (PubChem CID 86306040) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is (2R,3S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid
PubChem CID86306040
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name(2R,3S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid
SMILESC[C@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)O
InChIInChI=1S/C11H19NO5/c1-7-8(9(13)14)12(5-6-16-7)10(15)17-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)/t7-,8+/m1/s1
InChIKeyXUJUXKBCUVWHIX-SFYZADRCSA-N
XLogP1.10
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid?
The IUPAC name of (2R,3S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid (CID 86306040) is (2R,3S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (2R,3S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid?
The canonical SMILES for (2R,3S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid is C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)O.
What is the InChIKey of (2R,3S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid?
The InChIKey is XUJUXKBCUVWHIX-SFYZADRCSA-N. The full InChI is InChI=1S/C11H19NO5/c1-7-8(9(13)14)12(5-6-16-7)10(15)17-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)/t7-,8+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid?
(2R,3S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid has a molecular weight of 245.27 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 86306040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).