3-[5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]propanoic acid

C13H16N2O4 — CID 117009713

IUPAC3-[5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]propanoic acid
SMILESO=C(O)CCC1COCC(=O)N1Cc1ccncc1
InChIInChI=1S/C13H16N2O4/c16-12-9-19-8-11(1-2-13(17)18)15(12)7-10-3-5-14-6-4-10/h3-6,11H,1-2,7-9H2,(H,17,18)
InChIKeyAUXYUGJWKPAIRQ-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.67
Rot. Bonds5

About 3-[5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]propanoic acid

3-[5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]propanoic acid (PubChem CID 117009713) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-[5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]propanoic acid
PubChem CID117009713
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name3-[5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]propanoic acid
SMILESO=C(O)CCC1COCC(=O)N1Cc1ccncc1
InChIInChI=1S/C13H16N2O4/c16-12-9-19-8-11(1-2-13(17)18)15(12)7-10-3-5-14-6-4-10/h3-6,11H,1-2,7-9H2,(H,17,18)
InChIKeyAUXYUGJWKPAIRQ-UHFFFAOYSA-N
XLogP0.67
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(2-chlorophenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid
CID 115060611
3-[4-[(2-methylphenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid
CID 115060609
3-(5-oxo-4-propylmorpholin-3-yl)propanoic acid
CID 115060552
5-(3-aminopropyl)-4-benzylmorpholin-3-one
CID 115060565
5-(hydroxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-one
CID 115102815
4-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one
CID 115102818
3-(4-cyclopropyl-5-oxomorpholin-3-yl)propanoic acid
CID 115060435
3-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]propanoic acid
CID 115060258
3-(4-tert-butyl-5-oxomorpholin-3-yl)propanoic acid
CID 115060537
(2S)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxylic acid
CID 10560862
2-[5-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-yl]acetic acid
CID 115060573
5-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one
CID 115060562

Frequently Asked Questions

What is the IUPAC name of 3-[5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]propanoic acid?
The IUPAC name of 3-[5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]propanoic acid (CID 117009713) is 3-[5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]propanoic acid.
What is the SMILES notation for 3-[5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]propanoic acid?
The canonical SMILES for 3-[5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]propanoic acid is O=C(O)CCC1COCC(=O)N1Cc1ccncc1.
What is the InChIKey of 3-[5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]propanoic acid?
The InChIKey is AUXYUGJWKPAIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-12-9-19-8-11(1-2-13(17)18)15(12)7-10-3-5-14-6-4-10/h3-6,11H,1-2,7-9H2,(H,17,18).
What are the key properties of 3-[5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]propanoic acid?
3-[5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]propanoic acid has a molecular weight of 264.28 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]propanoic acid is sourced from PubChem (CID 117009713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).