(2R)-4-[2-(4-cyanophenoxy)acetyl]morpholine-2-carboxylic acid

C14H14N2O5 — CID 129367315

IUPAC(2R)-4-[2-(4-cyanophenoxy)acetyl]morpholine-2-carboxylic acid
SMILESN#Cc1ccc(OCC(=O)N2CCO[C@@H](C(=O)O)C2)cc1
InChIInChI=1S/C14H14N2O5/c15-7-10-1-3-11(4-2-10)21-9-13(17)16-5-6-20-12(8-16)14(18)19/h1-4,12H,5-6,8-9H2,(H,18,19)/t12-/m1/s1
InChIKeyPDXTUPTWNZZZIU-GFCCVEGCSA-N
MW290.28 g/mol
LogP0.25
Rot. Bonds4

About (2R)-4-[2-(4-cyanophenoxy)acetyl]morpholine-2-carboxylic acid

(2R)-4-[2-(4-cyanophenoxy)acetyl]morpholine-2-carboxylic acid (PubChem CID 129367315) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is (2R)-4-[2-(4-cyanophenoxy)acetyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[2-(4-cyanophenoxy)acetyl]morpholine-2-carboxylic acid
PubChem CID129367315
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name(2R)-4-[2-(4-cyanophenoxy)acetyl]morpholine-2-carboxylic acid
SMILESN#Cc1ccc(OCC(=O)N2CCO[C@@H](C(=O)O)C2)cc1
InChIInChI=1S/C14H14N2O5/c15-7-10-1-3-11(4-2-10)21-9-13(17)16-5-6-20-12(8-16)14(18)19/h1-4,12H,5-6,8-9H2,(H,18,19)/t12-/m1/s1
InChIKeyPDXTUPTWNZZZIU-GFCCVEGCSA-N
XLogP0.25
TPSA99.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-cyanophenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63031118
4-[2-(6-bromonaphthalen-2-yl)oxyacetyl]morpholine-2-carboxylic acid
CID 119238762
4-[2-(3-chloro-4-fluorophenoxy)acetyl]morpholine-2-carboxylic acid
CID 119239496
4-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-oxoethoxy]benzonitrile
CID 66370455
4-[2-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-oxoethoxy]benzonitrile
CID 56795828
4-[2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-oxoethoxy]benzonitrile
CID 96996849
4-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-oxoethoxy]benzonitrile
CID 61344253
4-[2-(3-nitrophenoxy)acetyl]morpholine-2-carboxylic acid
CID 119238888
2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 92757449
(2R)-4-[2-(2,4-difluorophenoxy)acetyl]morpholine-2-carboxylic acid
CID 129366670
methyl 4-[2-(4-cyanophenyl)acetyl]morpholine-2-carboxylate
CID 78926753
4-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-oxoethoxy]benzonitrile
CID 103533324

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[2-(4-cyanophenoxy)acetyl]morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-[2-(4-cyanophenoxy)acetyl]morpholine-2-carboxylic acid (CID 129367315) is (2R)-4-[2-(4-cyanophenoxy)acetyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-[2-(4-cyanophenoxy)acetyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-[2-(4-cyanophenoxy)acetyl]morpholine-2-carboxylic acid is N#Cc1ccc(OCC(=O)N2CCO[C@@H](C(=O)O)C2)cc1.
What is the InChIKey of (2R)-4-[2-(4-cyanophenoxy)acetyl]morpholine-2-carboxylic acid?
The InChIKey is PDXTUPTWNZZZIU-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H14N2O5/c15-7-10-1-3-11(4-2-10)21-9-13(17)16-5-6-20-12(8-16)14(18)19/h1-4,12H,5-6,8-9H2,(H,18,19)/t12-/m1/s1.
What are the key properties of (2R)-4-[2-(4-cyanophenoxy)acetyl]morpholine-2-carboxylic acid?
(2R)-4-[2-(4-cyanophenoxy)acetyl]morpholine-2-carboxylic acid has a molecular weight of 290.28 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[2-(4-cyanophenoxy)acetyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 129367315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).