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

C10H14N2O6 — CID 107427386

IUPAC5-[2-(hydroxymethyl)morpholine-4-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)C1=NOC(C(=O)N2CCOC(CO)C2)C1
InChIInChI=1S/C10H14N2O6/c13-5-6-4-12(1-2-17-6)9(14)8-3-7(10(15)16)11-18-8/h6,8,13H,1-5H2,(H,15,16)
InChIKeyJUTJFWWPSMGLND-UHFFFAOYSA-N
MW258.23 g/mol
LogP-1.56
Rot. Bonds3

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

5-[2-(hydroxymethyl)morpholine-4-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 107427386) has the molecular formula C10H14N2O6 and a molecular weight of 258.23 g/mol. Its IUPAC name is 5-[2-(hydroxymethyl)morpholine-4-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(hydroxymethyl)morpholine-4-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID107427386
Molecular FormulaC10H14N2O6
Molecular Weight258.23 g/mol
Exact Mass258.09
IUPAC Name5-[2-(hydroxymethyl)morpholine-4-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)C1=NOC(C(=O)N2CCOC(CO)C2)C1
InChIInChI=1S/C10H14N2O6/c13-5-6-4-12(1-2-17-6)9(14)8-3-7(10(15)16)11-18-8/h6,8,13H,1-5H2,(H,15,16)
InChIKeyJUTJFWWPSMGLND-UHFFFAOYSA-N
XLogP-1.56
TPSA108.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-methylmorpholine-4-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426552
5-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427600
5-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426689
5-(3-propylpyrrolidine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427494
cyclopropyl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208707
3-[2-(hydroxymethyl)morpholin-4-yl]-2,2-dimethyl-3-oxopropanoic acid
CID 82820748
tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 86593644
cyclopent-3-en-1-yl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208885
[2-(hydroxymethyl)morpholin-4-yl]-(2-methylcyclopropyl)methanone
CID 81208013
1-[2-(hydroxymethyl)morpholin-4-yl]-2-methoxyethanone
CID 81208943
5-(1,1-dioxo-1,4-thiazepane-4-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 114083640
2-bromo-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81203713

Frequently Asked Questions

What is the IUPAC name of 5-[2-(hydroxymethyl)morpholine-4-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[2-(hydroxymethyl)morpholine-4-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 107427386) is 5-[2-(hydroxymethyl)morpholine-4-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[2-(hydroxymethyl)morpholine-4-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[2-(hydroxymethyl)morpholine-4-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is O=C(O)C1=NOC(C(=O)N2CCOC(CO)C2)C1.
What is the InChIKey of 5-[2-(hydroxymethyl)morpholine-4-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is JUTJFWWPSMGLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O6/c13-5-6-4-12(1-2-17-6)9(14)8-3-7(10(15)16)11-18-8/h6,8,13H,1-5H2,(H,15,16).
What are the key properties of 5-[2-(hydroxymethyl)morpholine-4-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-[2-(hydroxymethyl)morpholine-4-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 258.23 g/mol, XLogP of -1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(hydroxymethyl)morpholine-4-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 107427386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).