(3R)-4-[2-(5-chloro-2-methoxyphenyl)acetyl]morpholine-3-carboxylic acid

C14H16ClNO5 — CID 124513245

IUPAC(3R)-4-[2-(5-chloro-2-methoxyphenyl)acetyl]morpholine-3-carboxylic acid
SMILESCOc1ccc(Cl)cc1CC(=O)N1CCOC[C@@H]1C(=O)O
InChIInChI=1S/C14H16ClNO5/c1-20-12-3-2-10(15)6-9(12)7-13(17)16-4-5-21-8-11(16)14(18)19/h2-3,6,11H,4-5,7-8H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyMTOFMOFACVSPPG-LLVKDONJSA-N
MW313.74 g/mol
LogP1.20
Rot. Bonds4

About (3R)-4-[2-(5-chloro-2-methoxyphenyl)acetyl]morpholine-3-carboxylic acid

(3R)-4-[2-(5-chloro-2-methoxyphenyl)acetyl]morpholine-3-carboxylic acid (PubChem CID 124513245) has the molecular formula C14H16ClNO5 and a molecular weight of 313.74 g/mol. Its IUPAC name is (3R)-4-[2-(5-chloro-2-methoxyphenyl)acetyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-4-[2-(5-chloro-2-methoxyphenyl)acetyl]morpholine-3-carboxylic acid
PubChem CID124513245
Molecular FormulaC14H16ClNO5
Molecular Weight313.74 g/mol
Exact Mass313.07
IUPAC Name(3R)-4-[2-(5-chloro-2-methoxyphenyl)acetyl]morpholine-3-carboxylic acid
SMILESCOc1ccc(Cl)cc1CC(=O)N1CCOC[C@@H]1C(=O)O
InChIInChI=1S/C14H16ClNO5/c1-20-12-3-2-10(15)6-9(12)7-13(17)16-4-5-21-8-11(16)14(18)19/h2-3,6,11H,4-5,7-8H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyMTOFMOFACVSPPG-LLVKDONJSA-N
XLogP1.20
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine-3-carboxylate
CID 115670695
4-[3-(2,5-difluorophenyl)propanoyl]morpholine-3-carboxylic acid
CID 119215938
(3S)-4-[2-(2-methoxy-4-methylphenoxy)acetyl]morpholine-3-carboxylic acid
CID 125149365
(3S)-4-[2-(3,4-difluorophenyl)acetyl]morpholine-3-carboxylic acid
CID 124517346
(3R)-4-[2-(4-chlorophenoxy)acetyl]morpholine-3-carboxylic acid
CID 124513443
(3R)-4-[2-(2-chloro-4-fluorophenoxy)acetyl]morpholine-3-carboxylic acid
CID 124513243
2-[1-[2-(5-chloro-2-methoxyphenyl)acetyl]pyrrolidin-2-yl]acetic acid
CID 61372432
4-[2-(2,6-dimethylphenyl)acetyl]morpholine-3-carboxylic acid
CID 120686802
4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]morpholine-3-carboxylic acid
CID 119216451
(3S)-4-[2-(6-chloroindol-1-yl)acetyl]morpholine-3-carboxylic acid
CID 125119285
4-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid
CID 126795330
1-(5-chloro-2-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-one
CID 79052318

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[2-(5-chloro-2-methoxyphenyl)acetyl]morpholine-3-carboxylic acid?
The IUPAC name of (3R)-4-[2-(5-chloro-2-methoxyphenyl)acetyl]morpholine-3-carboxylic acid (CID 124513245) is (3R)-4-[2-(5-chloro-2-methoxyphenyl)acetyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3R)-4-[2-(5-chloro-2-methoxyphenyl)acetyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3R)-4-[2-(5-chloro-2-methoxyphenyl)acetyl]morpholine-3-carboxylic acid is COc1ccc(Cl)cc1CC(=O)N1CCOC[C@@H]1C(=O)O.
What is the InChIKey of (3R)-4-[2-(5-chloro-2-methoxyphenyl)acetyl]morpholine-3-carboxylic acid?
The InChIKey is MTOFMOFACVSPPG-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16ClNO5/c1-20-12-3-2-10(15)6-9(12)7-13(17)16-4-5-21-8-11(16)14(18)19/h2-3,6,11H,4-5,7-8H2,1H3,(H,18,19)/t11-/m1/s1.
What are the key properties of (3R)-4-[2-(5-chloro-2-methoxyphenyl)acetyl]morpholine-3-carboxylic acid?
(3R)-4-[2-(5-chloro-2-methoxyphenyl)acetyl]morpholine-3-carboxylic acid has a molecular weight of 313.74 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[2-(5-chloro-2-methoxyphenyl)acetyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 124513245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).