2-[(2,2-dimethylmorpholine-4-carbonyl)amino]acetic acid

C9H16N2O4 — CID 43593181

IUPAC2-[(2,2-dimethylmorpholine-4-carbonyl)amino]acetic acid
SMILESCC1(C)CN(C(=O)NCC(=O)O)CCO1
InChIInChI=1S/C9H16N2O4/c1-9(2)6-11(3-4-15-9)8(14)10-5-7(12)13/h3-6H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyBXORGLQGDDEIRX-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.11
Rot. Bonds2

About 2-[(2,2-dimethylmorpholine-4-carbonyl)amino]acetic acid

2-[(2,2-dimethylmorpholine-4-carbonyl)amino]acetic acid (PubChem CID 43593181) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-[(2,2-dimethylmorpholine-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,2-dimethylmorpholine-4-carbonyl)amino]acetic acid
PubChem CID43593181
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name2-[(2,2-dimethylmorpholine-4-carbonyl)amino]acetic acid
SMILESCC1(C)CN(C(=O)NCC(=O)O)CCO1
InChIInChI=1S/C9H16N2O4/c1-9(2)6-11(3-4-15-9)8(14)10-5-7(12)13/h3-6H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyBXORGLQGDDEIRX-UHFFFAOYSA-N
XLogP-0.11
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylmorpholine-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2,2-dimethylmorpholine-4-carbonyl)amino]acetic acid (CID 43593181) is 2-[(2,2-dimethylmorpholine-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2,2-dimethylmorpholine-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2,2-dimethylmorpholine-4-carbonyl)amino]acetic acid is CC1(C)CN(C(=O)NCC(=O)O)CCO1.
What is the InChIKey of 2-[(2,2-dimethylmorpholine-4-carbonyl)amino]acetic acid?
The InChIKey is BXORGLQGDDEIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-9(2)6-11(3-4-15-9)8(14)10-5-7(12)13/h3-6H2,1-2H3,(H,10,14)(H,12,13).
What are the key properties of 2-[(2,2-dimethylmorpholine-4-carbonyl)amino]acetic acid?
2-[(2,2-dimethylmorpholine-4-carbonyl)amino]acetic acid has a molecular weight of 216.24 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylmorpholine-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 43593181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).