4-[2-(3-cyanophenoxy)propanoyl]morpholine-2-carboxylic acid

C15H16N2O5 — CID 154750600

IUPAC4-[2-(3-cyanophenoxy)propanoyl]morpholine-2-carboxylic acid
SMILESCC(Oc1cccc(C#N)c1)C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C15H16N2O5/c1-10(22-12-4-2-3-11(7-12)8-16)14(18)17-5-6-21-13(9-17)15(19)20/h2-4,7,10,13H,5-6,9H2,1H3,(H,19,20)
InChIKeyYJGOJFBRZJIWFP-UHFFFAOYSA-N
MW304.30 g/mol
LogP0.64
Rot. Bonds4

About 4-[2-(3-cyanophenoxy)propanoyl]morpholine-2-carboxylic acid

4-[2-(3-cyanophenoxy)propanoyl]morpholine-2-carboxylic acid (PubChem CID 154750600) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is 4-[2-(3-cyanophenoxy)propanoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(3-cyanophenoxy)propanoyl]morpholine-2-carboxylic acid
PubChem CID154750600
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name4-[2-(3-cyanophenoxy)propanoyl]morpholine-2-carboxylic acid
SMILESCC(Oc1cccc(C#N)c1)C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C15H16N2O5/c1-10(22-12-4-2-3-11(7-12)8-16)14(18)17-5-6-21-13(9-17)15(19)20/h2-4,7,10,13H,5-6,9H2,1H3,(H,19,20)
InChIKeyYJGOJFBRZJIWFP-UHFFFAOYSA-N
XLogP0.64
TPSA99.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S)-1-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 95582724
3-[1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1-oxopropan-2-yl]oxybenzonitrile
CID 56819838
3-[(2R)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]oxybenzonitrile
CID 94199628
4-[1-(2-methylmorpholin-4-yl)-1-oxopropan-2-yl]oxybenzonitrile
CID 51293115
3-[(2R)-1-(4-acetyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]oxybenzonitrile
CID 95582705
(2R)-4-[(2S)-2-(2-chloro-5-methylphenoxy)propanoyl]morpholine-2-carboxylic acid
CID 129468435
4-[2-(2-bromo-4-methylphenoxy)propanoyl]morpholine-2-carboxylic acid
CID 119239305
2-[(2S)-4-[(2R)-2-(3-fluorophenoxy)propanoyl]morpholin-2-yl]acetic acid
CID 125118657
4-[3-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid
CID 119238893
(2S)-4-[2-[[4-(2-methylphenyl)-1-oxo-2H-isoquinolin-7-yl]oxy]propanoyl]morpholine-2-carboxylic acid
CID 167498651
3-[(2S)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 95582702
(2R)-4-[2-(4-cyanophenoxy)acetyl]morpholine-2-carboxylic acid
CID 129367315

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-cyanophenoxy)propanoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[2-(3-cyanophenoxy)propanoyl]morpholine-2-carboxylic acid (CID 154750600) is 4-[2-(3-cyanophenoxy)propanoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[2-(3-cyanophenoxy)propanoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[2-(3-cyanophenoxy)propanoyl]morpholine-2-carboxylic acid is CC(Oc1cccc(C#N)c1)C(=O)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-[2-(3-cyanophenoxy)propanoyl]morpholine-2-carboxylic acid?
The InChIKey is YJGOJFBRZJIWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-10(22-12-4-2-3-11(7-12)8-16)14(18)17-5-6-21-13(9-17)15(19)20/h2-4,7,10,13H,5-6,9H2,1H3,(H,19,20).
What are the key properties of 4-[2-(3-cyanophenoxy)propanoyl]morpholine-2-carboxylic acid?
4-[2-(3-cyanophenoxy)propanoyl]morpholine-2-carboxylic acid has a molecular weight of 304.30 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-cyanophenoxy)propanoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 154750600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).