(2S,6R)-2-(dimethylcarbamoyl)-6-(hydroxymethyl)morpholine-4-carboxylic acid

C9H16N2O5 — CID 118306499

IUPAC(2S,6R)-2-(dimethylcarbamoyl)-6-(hydroxymethyl)morpholine-4-carboxylic acid
SMILESCN(C)C(=O)[C@@H]1CN(C(=O)O)C[C@H](CO)O1
InChIInChI=1S/C9H16N2O5/c1-10(2)8(13)7-4-11(9(14)15)3-6(5-12)16-7/h6-7,12H,3-5H2,1-2H3,(H,14,15)/t6-,7+/m1/s1
InChIKeyJXHHASCJRPPESA-RQJHMYQMSA-N
MW232.24 g/mol
LogP-1.19
Rot. Bonds2

About (2S,6R)-2-(dimethylcarbamoyl)-6-(hydroxymethyl)morpholine-4-carboxylic acid

(2S,6R)-2-(dimethylcarbamoyl)-6-(hydroxymethyl)morpholine-4-carboxylic acid (PubChem CID 118306499) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is (2S,6R)-2-(dimethylcarbamoyl)-6-(hydroxymethyl)morpholine-4-carboxylic acid.

Molecular Properties

Compound Name(2S,6R)-2-(dimethylcarbamoyl)-6-(hydroxymethyl)morpholine-4-carboxylic acid
PubChem CID118306499
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name(2S,6R)-2-(dimethylcarbamoyl)-6-(hydroxymethyl)morpholine-4-carboxylic acid
SMILESCN(C)C(=O)[C@@H]1CN(C(=O)O)C[C@H](CO)O1
InChIInChI=1S/C9H16N2O5/c1-10(2)8(13)7-4-11(9(14)15)3-6(5-12)16-7/h6-7,12H,3-5H2,1-2H3,(H,14,15)/t6-,7+/m1/s1
InChIKeyJXHHASCJRPPESA-RQJHMYQMSA-N
XLogP-1.19
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,6S)-6-(dimethylcarbamoyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid
CID 118306516
(5S)-5-(hydroxymethyl)-4-oxa-7-azaspiro[2.5]octane-7-carboxylic acid
CID 170168691
(2R,5R)-5-(aminomethyl)-N,N-dimethyloxolane-2-carboxamide
CID 97050721
2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]oxyacetic acid
CID 102933782
N-ethyl-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N-methylacetamide
CID 102935999
2-[[methyl(methylsulfonyl)amino]methyl]-1,4-oxazepane-4-carboxylic acid
CID 123496241
2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 102932290
(2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid
CID 137442866
2,6-dimethylmorpholine-4-carboxylic acid
CID 22047773
1-[(2R,6S)-2,6-bis(hydroxymethyl)morpholin-4-yl]-2,3-dihydroxy-2-methylpropan-1-one
CID 166327594
N,N,2-trimethyl-1,2-oxazolidine-5-carboxamide
CID 156736898
5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethyl-5-oxopentanoic acid
CID 102932285

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-(dimethylcarbamoyl)-6-(hydroxymethyl)morpholine-4-carboxylic acid?
The IUPAC name of (2S,6R)-2-(dimethylcarbamoyl)-6-(hydroxymethyl)morpholine-4-carboxylic acid (CID 118306499) is (2S,6R)-2-(dimethylcarbamoyl)-6-(hydroxymethyl)morpholine-4-carboxylic acid.
What is the SMILES notation for (2S,6R)-2-(dimethylcarbamoyl)-6-(hydroxymethyl)morpholine-4-carboxylic acid?
The canonical SMILES for (2S,6R)-2-(dimethylcarbamoyl)-6-(hydroxymethyl)morpholine-4-carboxylic acid is CN(C)C(=O)[C@@H]1CN(C(=O)O)C[C@H](CO)O1.
What is the InChIKey of (2S,6R)-2-(dimethylcarbamoyl)-6-(hydroxymethyl)morpholine-4-carboxylic acid?
The InChIKey is JXHHASCJRPPESA-RQJHMYQMSA-N. The full InChI is InChI=1S/C9H16N2O5/c1-10(2)8(13)7-4-11(9(14)15)3-6(5-12)16-7/h6-7,12H,3-5H2,1-2H3,(H,14,15)/t6-,7+/m1/s1.
What are the key properties of (2S,6R)-2-(dimethylcarbamoyl)-6-(hydroxymethyl)morpholine-4-carboxylic acid?
(2S,6R)-2-(dimethylcarbamoyl)-6-(hydroxymethyl)morpholine-4-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of -1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-(dimethylcarbamoyl)-6-(hydroxymethyl)morpholine-4-carboxylic acid is sourced from PubChem (CID 118306499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).