2-[2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-oxoethoxy]acetic acid

C11H18N2O6 — CID 104959235

IUPAC2-[2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-oxoethoxy]acetic acid
SMILESC[C@@H]1CN(C(=O)NC(=O)COCC(=O)O)C[C@H](C)O1
InChIInChI=1S/C11H18N2O6/c1-7-3-13(4-8(2)19-7)11(17)12-9(14)5-18-6-10(15)16/h7-8H,3-6H2,1-2H3,(H,15,16)(H,12,14,17)/t7-,8+
InChIKeyJYBUZBDRBFCXCB-OCAPTIKFSA-N
MW274.27 g/mol
LogP-0.57
Rot. Bonds4

About 2-[2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-oxoethoxy]acetic acid

2-[2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-oxoethoxy]acetic acid (PubChem CID 104959235) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-[2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-oxoethoxy]acetic acid
PubChem CID104959235
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name2-[2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-oxoethoxy]acetic acid
SMILESC[C@@H]1CN(C(=O)NC(=O)COCC(=O)O)C[C@H](C)O1
InChIInChI=1S/C11H18N2O6/c1-7-3-13(4-8(2)19-7)11(17)12-9(14)5-18-6-10(15)16/h7-8H,3-6H2,1-2H3,(H,15,16)(H,12,14,17)/t7-,8+
InChIKeyJYBUZBDRBFCXCB-OCAPTIKFSA-N
XLogP-0.57
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-oxoethoxy]acetic acid (CID 104959235) is 2-[2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-oxoethoxy]acetic acid is C[C@@H]1CN(C(=O)NC(=O)COCC(=O)O)C[C@H](C)O1.
What is the InChIKey of 2-[2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-oxoethoxy]acetic acid?
The InChIKey is JYBUZBDRBFCXCB-OCAPTIKFSA-N. The full InChI is InChI=1S/C11H18N2O6/c1-7-3-13(4-8(2)19-7)11(17)12-9(14)5-18-6-10(15)16/h7-8H,3-6H2,1-2H3,(H,15,16)(H,12,14,17)/t7-,8+.
What are the key properties of 2-[2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-oxoethoxy]acetic acid?
2-[2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-oxoethoxy]acetic acid has a molecular weight of 274.27 g/mol, XLogP of -0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 104959235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).