2-hydroxy-2-methyl-3-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]propanoic acid

C13H24N2O5 — CID 102744953

IUPAC2-hydroxy-2-methyl-3-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]propanoic acid
SMILESCC1(C)CN(C(=O)NCC(C)(O)C(=O)O)CC(C)(C)O1
InChIInChI=1S/C13H24N2O5/c1-11(2)7-15(8-12(3,4)20-11)10(18)14-6-13(5,19)9(16)17/h19H,6-8H2,1-5H3,(H,14,18)(H,16,17)
InChIKeyWJRJLKPDPJZSDG-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.42
Rot. Bonds3

About 2-hydroxy-2-methyl-3-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]propanoic acid

2-hydroxy-2-methyl-3-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]propanoic acid (PubChem CID 102744953) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]propanoic acid
PubChem CID102744953
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name2-hydroxy-2-methyl-3-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]propanoic acid
SMILESCC1(C)CN(C(=O)NCC(C)(O)C(=O)O)CC(C)(C)O1
InChIInChI=1S/C13H24N2O5/c1-11(2)7-15(8-12(3,4)20-11)10(18)14-6-13(5,19)9(16)17/h19H,6-8H2,1-5H3,(H,14,18)(H,16,17)
InChIKeyWJRJLKPDPJZSDG-UHFFFAOYSA-N
XLogP0.42
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-2-methyl-3-(morpholine-4-carbonylamino)propanoic acid
CID 66173250
3-(azepane-1-carbonylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173450
3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 106670648
2-hydroxy-2-methyl-3-(piperazine-1-carbonylamino)propanoic acid
CID 66177206
2-hydroxy-2-methyl-3-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]propanoic acid
CID 66174891
3-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174638
2-methyl-5-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid
CID 102744984
3-[(3,3-dimethylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66177207
2-(tert-butylamino)-1-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone
CID 102737650
2,2,6,6-tetramethylmorpholine-4-carbohydrazide
CID 102745077
3-[[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]methyl]pentanoic acid
CID 102744912
4-[[2,2,6-trimethyl-6-(trifluoromethyl)morpholine-4-carbonyl]amino]butanoic acid
CID 122021975

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]propanoic acid (CID 102744953) is 2-hydroxy-2-methyl-3-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]propanoic acid is CC1(C)CN(C(=O)NCC(C)(O)C(=O)O)CC(C)(C)O1.
What is the InChIKey of 2-hydroxy-2-methyl-3-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]propanoic acid?
The InChIKey is WJRJLKPDPJZSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-11(2)7-15(8-12(3,4)20-11)10(18)14-6-13(5,19)9(16)17/h19H,6-8H2,1-5H3,(H,14,18)(H,16,17).
What are the key properties of 2-hydroxy-2-methyl-3-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]propanoic acid?
2-hydroxy-2-methyl-3-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]propanoic acid has a molecular weight of 288.34 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 102744953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).