(3R)-4-[2-(4-chlorophenoxy)acetyl]morpholine-3-carboxylic acid

C13H14ClNO5 — CID 124513443

IUPAC(3R)-4-[2-(4-chlorophenoxy)acetyl]morpholine-3-carboxylic acid
SMILESO=C(O)[C@H]1COCCN1C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C13H14ClNO5/c14-9-1-3-10(4-2-9)20-8-12(16)15-5-6-19-7-11(15)13(17)18/h1-4,11H,5-8H2,(H,17,18)/t11-/m1/s1
InChIKeyWQGQLMYPBUDYND-LLVKDONJSA-N
MW299.71 g/mol
LogP1.03
Rot. Bonds4

About (3R)-4-[2-(4-chlorophenoxy)acetyl]morpholine-3-carboxylic acid

(3R)-4-[2-(4-chlorophenoxy)acetyl]morpholine-3-carboxylic acid (PubChem CID 124513443) has the molecular formula C13H14ClNO5 and a molecular weight of 299.71 g/mol. Its IUPAC name is (3R)-4-[2-(4-chlorophenoxy)acetyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-4-[2-(4-chlorophenoxy)acetyl]morpholine-3-carboxylic acid
PubChem CID124513443
Molecular FormulaC13H14ClNO5
Molecular Weight299.71 g/mol
Exact Mass299.06
IUPAC Name(3R)-4-[2-(4-chlorophenoxy)acetyl]morpholine-3-carboxylic acid
SMILESO=C(O)[C@H]1COCCN1C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C13H14ClNO5/c14-9-1-3-10(4-2-9)20-8-12(16)15-5-6-19-7-11(15)13(17)18/h1-4,11H,5-8H2,(H,17,18)/t11-/m1/s1
InChIKeyWQGQLMYPBUDYND-LLVKDONJSA-N
XLogP1.03
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.71
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(3-methoxyphenoxy)acetyl]morpholine-3-carboxylic acid
CID 119216678
1-[2-(4-chlorophenoxy)acetyl]azepane-2-carboxylic acid
CID 64559752
(3R)-4-[2-(2-chloro-4-fluorophenoxy)acetyl]morpholine-3-carboxylic acid
CID 124513243
4-[4-(4-fluorophenoxy)butanoyl]morpholine-3-carboxylic acid
CID 119216664
(3S)-4-[(Z)-3-(4-chlorophenyl)prop-2-enoyl]morpholine-3-carboxylic acid
CID 129407880
(3R)-4-[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid
CID 125119514
(3R)-4-[2-(5-chloro-2-methoxyphenyl)acetyl]morpholine-3-carboxylic acid
CID 124513245
(3R)-4-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]morpholine-3-carboxylic acid
CID 125119510
2-(4-chlorophenoxy)-1-[4-(oxolan-3-yl)piperidin-1-yl]ethanone
CID 136530092
(3S)-4-[3-(2-chlorophenoxy)propanoyl]morpholine-3-carboxylic acid
CID 124513402
(3S)-4-[2-(2-methoxy-4-methylphenoxy)acetyl]morpholine-3-carboxylic acid
CID 125149365
2-phenoxy-1-(3-phenylmorpholin-4-yl)ethanone
CID 110728348

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[2-(4-chlorophenoxy)acetyl]morpholine-3-carboxylic acid?
The IUPAC name of (3R)-4-[2-(4-chlorophenoxy)acetyl]morpholine-3-carboxylic acid (CID 124513443) is (3R)-4-[2-(4-chlorophenoxy)acetyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3R)-4-[2-(4-chlorophenoxy)acetyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3R)-4-[2-(4-chlorophenoxy)acetyl]morpholine-3-carboxylic acid is O=C(O)[C@H]1COCCN1C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of (3R)-4-[2-(4-chlorophenoxy)acetyl]morpholine-3-carboxylic acid?
The InChIKey is WQGQLMYPBUDYND-LLVKDONJSA-N. The full InChI is InChI=1S/C13H14ClNO5/c14-9-1-3-10(4-2-9)20-8-12(16)15-5-6-19-7-11(15)13(17)18/h1-4,11H,5-8H2,(H,17,18)/t11-/m1/s1.
What are the key properties of (3R)-4-[2-(4-chlorophenoxy)acetyl]morpholine-3-carboxylic acid?
(3R)-4-[2-(4-chlorophenoxy)acetyl]morpholine-3-carboxylic acid has a molecular weight of 299.71 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[2-(4-chlorophenoxy)acetyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 124513443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).