3-[(3,3-dimethylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid

C11H20N2O5 — CID 66177207

IUPAC3-[(3,3-dimethylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)N1CCOCC1(C)C)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-10(2)7-18-5-4-13(10)9(16)12-6-11(3,17)8(14)15/h17H,4-7H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyLQLJJUYHUPNHCG-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.36
Rot. Bonds3

About 3-[(3,3-dimethylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid

3-[(3,3-dimethylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 66177207) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-[(3,3-dimethylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(3,3-dimethylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID66177207
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name3-[(3,3-dimethylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)N1CCOCC1(C)C)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-10(2)7-18-5-4-13(10)9(16)12-6-11(3,17)8(14)15/h17H,4-7H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyLQLJJUYHUPNHCG-UHFFFAOYSA-N
XLogP-0.36
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,3-dimethylmorpholine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66002610
2-hydroxy-2-methyl-3-(morpholine-4-carbonylamino)propanoic acid
CID 66173250
7-[(3,3-dimethylmorpholine-4-carbonyl)amino]heptanoic acid
CID 61427989
3-[[(3,3-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid
CID 61428498
2-hydroxy-2-methyl-3-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]propanoic acid
CID 102744953
2-hydroxy-2-methyl-3-(morpholin-4-ylcarbamoylamino)propanoic acid
CID 83020408
4-amino-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid
CID 61428585
3-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66175544
3-[(3-carbamoylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 83095827
4-[(3,3-dimethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61427841
3-(azepane-1-carbonylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173450
4-[(3,3-dimethylmorpholine-4-carbonyl)amino]oxane-4-carboxylic acid
CID 115292950

Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-dimethylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(3,3-dimethylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid (CID 66177207) is 3-[(3,3-dimethylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(3,3-dimethylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(3,3-dimethylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid is CC(O)(CNC(=O)N1CCOCC1(C)C)C(=O)O.
What is the InChIKey of 3-[(3,3-dimethylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is LQLJJUYHUPNHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-10(2)7-18-5-4-13(10)9(16)12-6-11(3,17)8(14)15/h17H,4-7H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 3-[(3,3-dimethylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
3-[(3,3-dimethylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-dimethylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66177207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).