(2S)-4-hydroxy-2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]butanoic acid

C11H20N2O6 — CID 114005918

IUPAC(2S)-4-hydroxy-2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]butanoic acid
SMILESCC1CN(C(=O)N[C@@H](CCO)C(=O)O)CC(CO)O1
InChIInChI=1S/C11H20N2O6/c1-7-4-13(5-8(6-15)19-7)11(18)12-9(2-3-14)10(16)17/h7-9,14-15H,2-6H2,1H3,(H,12,18)(H,16,17)/t7?,8?,9-/m0/s1
InChIKeyQCKWRZMVIIMZAC-HACHORDNSA-N
MW276.29 g/mol
LogP-1.39
Rot. Bonds5

About (2S)-4-hydroxy-2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]butanoic acid

(2S)-4-hydroxy-2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]butanoic acid (PubChem CID 114005918) has the molecular formula C11H20N2O6 and a molecular weight of 276.29 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]butanoic acid
PubChem CID114005918
Molecular FormulaC11H20N2O6
Molecular Weight276.29 g/mol
Exact Mass276.13
IUPAC Name(2S)-4-hydroxy-2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]butanoic acid
SMILESCC1CN(C(=O)N[C@@H](CCO)C(=O)O)CC(CO)O1
InChIInChI=1S/C11H20N2O6/c1-7-4-13(5-8(6-15)19-7)11(18)12-9(2-3-14)10(16)17/h7-9,14-15H,2-6H2,1H3,(H,12,18)(H,16,17)/t7?,8?,9-/m0/s1
InChIKeyQCKWRZMVIIMZAC-HACHORDNSA-N
XLogP-1.39
TPSA119.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 5-1.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2S)-4-hydroxy-2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]butanoic acid with MolForge

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Related Compounds

(2S)-2-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-3-hydroxypropanoic acid
CID 104959540
(2R)-4-hydroxy-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]butanoic acid
CID 107829358
(2S)-5-amino-2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-5-oxopentanoic acid
CID 104959619
(2S)-2-hydroxy-3-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]propanoic acid
CID 114007789
2-[[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]methyl]butanoic acid
CID 102933894
2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]oxyacetic acid
CID 102933782
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(propan-2-ylamino)ethanone
CID 102932666
(2R)-4-hydroxy-2-[(4-methylazepane-1-carbonyl)amino]butanoic acid
CID 114005640
2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 102933774
2,2-difluoro-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 103514025
(2R,6R)-2-(hydroxymethyl)-6-methyl-N-[(1S)-1-phenylpent-4-enyl]morpholine-4-carboxamide
CID 129400358
2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 102932290

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]butanoic acid (CID 114005918) is (2S)-4-hydroxy-2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]butanoic acid is CC1CN(C(=O)N[C@@H](CCO)C(=O)O)CC(CO)O1.
What is the InChIKey of (2S)-4-hydroxy-2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]butanoic acid?
The InChIKey is QCKWRZMVIIMZAC-HACHORDNSA-N. The full InChI is InChI=1S/C11H20N2O6/c1-7-4-13(5-8(6-15)19-7)11(18)12-9(2-3-14)10(16)17/h7-9,14-15H,2-6H2,1H3,(H,12,18)(H,16,17)/t7?,8?,9-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]butanoic acid?
(2S)-4-hydroxy-2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]butanoic acid has a molecular weight of 276.29 g/mol, XLogP of -1.39, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]butanoic acid is sourced from PubChem (CID 114005918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).