(2R)-4-hydroxy-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]butanoic acid

C12H22N2O6 — CID 107829358

IUPAC(2R)-4-hydroxy-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]butanoic acid
SMILESCC1(C)CN(C(=O)N[C@H](CCO)C(=O)O)CC(CO)O1
InChIInChI=1S/C12H22N2O6/c1-12(2)7-14(5-8(6-16)20-12)11(19)13-9(3-4-15)10(17)18/h8-9,15-16H,3-7H2,1-2H3,(H,13,19)(H,17,18)/t8?,9-/m1/s1
InChIKeyAIKFXLXRZZTRIJ-YGPZHTELSA-N
MW290.32 g/mol
LogP-1.00
Rot. Bonds5

About (2R)-4-hydroxy-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]butanoic acid

(2R)-4-hydroxy-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]butanoic acid (PubChem CID 107829358) has the molecular formula C12H22N2O6 and a molecular weight of 290.32 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]butanoic acid
PubChem CID107829358
Molecular FormulaC12H22N2O6
Molecular Weight290.32 g/mol
Exact Mass290.15
IUPAC Name(2R)-4-hydroxy-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]butanoic acid
SMILESCC1(C)CN(C(=O)N[C@H](CCO)C(=O)O)CC(CO)O1
InChIInChI=1S/C12H22N2O6/c1-12(2)7-14(5-8(6-16)20-12)11(19)13-9(3-4-15)10(17)18/h8-9,15-16H,3-7H2,1-2H3,(H,13,19)(H,17,18)/t8?,9-/m1/s1
InChIKeyAIKFXLXRZZTRIJ-YGPZHTELSA-N
XLogP-1.00
TPSA119.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-1.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2R)-4-hydroxy-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]butanedioic acid
CID 104969899
4-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]-2-methylbutanoic acid
CID 114777599
(2R)-3-hydroxy-2-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]propanoic acid
CID 80756754
(2S)-4-hydroxy-2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]butanoic acid
CID 114005918
3-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]propanoic acid
CID 114777782
1-[[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 114777601
(2R)-4-hydroxy-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 114005762
[1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]urea
CID 114779000
(2S)-4-hydroxy-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 107829254
3-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-propan-2-ylamino]propanoic acid
CID 114777725
1-[(6R)-6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]prop-2-en-1-one
CID 166408409
6-(hydroxymethyl)-N-(4-methoxyphenyl)-2,2-dimethylmorpholine-4-carboxamide
CID 114779052

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]butanoic acid (CID 107829358) is (2R)-4-hydroxy-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]butanoic acid is CC1(C)CN(C(=O)N[C@H](CCO)C(=O)O)CC(CO)O1.
What is the InChIKey of (2R)-4-hydroxy-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]butanoic acid?
The InChIKey is AIKFXLXRZZTRIJ-YGPZHTELSA-N. The full InChI is InChI=1S/C12H22N2O6/c1-12(2)7-14(5-8(6-16)20-12)11(19)13-9(3-4-15)10(17)18/h8-9,15-16H,3-7H2,1-2H3,(H,13,19)(H,17,18)/t8?,9-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]butanoic acid?
(2R)-4-hydroxy-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]butanoic acid has a molecular weight of 290.32 g/mol, XLogP of -1.00, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]butanoic acid is sourced from PubChem (CID 107829358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).