5-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C12H18N2O6 — CID 107427600

IUPAC5-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCC1(C)CN(C(=O)C2CC(C(=O)O)=NO2)CC(CO)O1
InChIInChI=1S/C12H18N2O6/c1-12(2)6-14(4-7(5-15)19-12)10(16)9-3-8(11(17)18)13-20-9/h7,9,15H,3-6H2,1-2H3,(H,17,18)
InChIKeyXAVCGGYJFXCTPM-UHFFFAOYSA-N
MW286.28 g/mol
LogP-0.79
Rot. Bonds3

About 5-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 107427600) has the molecular formula C12H18N2O6 and a molecular weight of 286.28 g/mol. Its IUPAC name is 5-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID107427600
Molecular FormulaC12H18N2O6
Molecular Weight286.28 g/mol
Exact Mass286.12
IUPAC Name5-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCC1(C)CN(C(=O)C2CC(C(=O)O)=NO2)CC(CO)O1
InChIInChI=1S/C12H18N2O6/c1-12(2)6-14(4-7(5-15)19-12)10(16)9-3-8(11(17)18)13-20-9/h7,9,15H,3-6H2,1-2H3,(H,17,18)
InChIKeyXAVCGGYJFXCTPM-UHFFFAOYSA-N
XLogP-0.79
TPSA108.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic 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

5-[2-(hydroxymethyl)morpholine-4-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427386
5-(2-methylmorpholine-4-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426552
5-(3-tert-butylpyrrolidine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427491
2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]benzoic acid
CID 114776496
5-(3-propylpyrrolidine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427494
5-(3-aminopyrrolidine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427081
5-(1,4-oxazepane-4-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427148
6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide
CID 114776562
5-(4-hydroxy-3-methylpiperidine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427598
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(4-hydroxyphenyl)methanone
CID 114777165
1-[(6R)-6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]prop-2-en-1-one
CID 166408409
7-bicyclo[4.2.0]octa-1,3,5-trienyl-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114778305

Frequently Asked Questions

What is the IUPAC name of 5-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 107427600) is 5-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is CC1(C)CN(C(=O)C2CC(C(=O)O)=NO2)CC(CO)O1.
What is the InChIKey of 5-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is XAVCGGYJFXCTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O6/c1-12(2)6-14(4-7(5-15)19-12)10(16)9-3-8(11(17)18)13-20-9/h7,9,15H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 5-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 286.28 g/mol, XLogP of -0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 107427600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).