4-(oxan-2-ylmethyl)-5-oxomorpholine-2-carboxylic acid

C11H17NO5 — CID 115103049

IUPAC4-(oxan-2-ylmethyl)-5-oxomorpholine-2-carboxylic acid
SMILESO=C(O)C1CN(CC2CCCCO2)C(=O)CO1
InChIInChI=1S/C11H17NO5/c13-10-7-17-9(11(14)15)6-12(10)5-8-3-1-2-4-16-8/h8-9H,1-7H2,(H,14,15)
InChIKeyAOISBZINRZZSSB-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.13
Rot. Bonds3

About 4-(oxan-2-ylmethyl)-5-oxomorpholine-2-carboxylic acid

4-(oxan-2-ylmethyl)-5-oxomorpholine-2-carboxylic acid (PubChem CID 115103049) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is 4-(oxan-2-ylmethyl)-5-oxomorpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(oxan-2-ylmethyl)-5-oxomorpholine-2-carboxylic acid
PubChem CID115103049
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name4-(oxan-2-ylmethyl)-5-oxomorpholine-2-carboxylic acid
SMILESO=C(O)C1CN(CC2CCCCO2)C(=O)CO1
InChIInChI=1S/C11H17NO5/c13-10-7-17-9(11(14)15)6-12(10)5-8-3-1-2-4-16-8/h8-9H,1-7H2,(H,14,15)
InChIKeyAOISBZINRZZSSB-UHFFFAOYSA-N
XLogP-0.13
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-oxo-4-(oxolan-2-ylmethyl)morpholin-2-yl]butanoic acid
CID 112519843
5-oxo-4-(piperidin-4-ylmethyl)morpholine-2-carboxylic acid
CID 115102949
4-chloro-1-(oxolan-2-ylmethyl)pyrrolidin-2-one
CID 168687103
1-(oxan-2-ylmethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902946
(4R)-4-amino-1-[[(2R)-oxolan-2-yl]methyl]pyrrolidin-2-one
CID 28815490
4-methyl-1-(oxan-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63721061
1-(oxan-2-ylmethyl)piperidine-2-carboxylic acid
CID 43441213
3-(oxan-2-ylmethyl)imidazolidine-2,4-dione
CID 103601172
1-(oxan-2-ylmethyl)-2,4-dioxopyrimidine-5-carboxylic acid
CID 79875071
2-[2-oxo-3-(oxolan-2-ylmethyl)-1,3-oxazinan-6-yl]acetic acid
CID 117011044
2-[(2R)-oxan-2-yl]acetic acid
CID 6556828
2-(oxan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 62875186

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-2-ylmethyl)-5-oxomorpholine-2-carboxylic acid?
The IUPAC name of 4-(oxan-2-ylmethyl)-5-oxomorpholine-2-carboxylic acid (CID 115103049) is 4-(oxan-2-ylmethyl)-5-oxomorpholine-2-carboxylic acid.
What is the SMILES notation for 4-(oxan-2-ylmethyl)-5-oxomorpholine-2-carboxylic acid?
The canonical SMILES for 4-(oxan-2-ylmethyl)-5-oxomorpholine-2-carboxylic acid is O=C(O)C1CN(CC2CCCCO2)C(=O)CO1.
What is the InChIKey of 4-(oxan-2-ylmethyl)-5-oxomorpholine-2-carboxylic acid?
The InChIKey is AOISBZINRZZSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c13-10-7-17-9(11(14)15)6-12(10)5-8-3-1-2-4-16-8/h8-9H,1-7H2,(H,14,15).
What are the key properties of 4-(oxan-2-ylmethyl)-5-oxomorpholine-2-carboxylic acid?
4-(oxan-2-ylmethyl)-5-oxomorpholine-2-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-2-ylmethyl)-5-oxomorpholine-2-carboxylic acid is sourced from PubChem (CID 115103049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).