(2R)-4-[(2S)-2-(2-chloro-5-methylphenoxy)propanoyl]morpholine-2-carboxylic acid

C15H18ClNO5 — CID 129468435

IUPAC(2R)-4-[(2S)-2-(2-chloro-5-methylphenoxy)propanoyl]morpholine-2-carboxylic acid
SMILESCc1ccc(Cl)c(O[C@@H](C)C(=O)N2CCO[C@@H](C(=O)O)C2)c1
InChIInChI=1S/C15H18ClNO5/c1-9-3-4-11(16)12(7-9)22-10(2)14(18)17-5-6-21-13(8-17)15(19)20/h3-4,7,10,13H,5-6,8H2,1-2H3,(H,19,20)/t10-,13+/m0/s1
InChIKeyCCVIISFCMAYLIZ-GXFFZTMASA-N
MW327.76 g/mol
LogP1.73
Rot. Bonds4

About (2R)-4-[(2S)-2-(2-chloro-5-methylphenoxy)propanoyl]morpholine-2-carboxylic acid

(2R)-4-[(2S)-2-(2-chloro-5-methylphenoxy)propanoyl]morpholine-2-carboxylic acid (PubChem CID 129468435) has the molecular formula C15H18ClNO5 and a molecular weight of 327.76 g/mol. Its IUPAC name is (2R)-4-[(2S)-2-(2-chloro-5-methylphenoxy)propanoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[(2S)-2-(2-chloro-5-methylphenoxy)propanoyl]morpholine-2-carboxylic acid
PubChem CID129468435
Molecular FormulaC15H18ClNO5
Molecular Weight327.76 g/mol
Exact Mass327.09
IUPAC Name(2R)-4-[(2S)-2-(2-chloro-5-methylphenoxy)propanoyl]morpholine-2-carboxylic acid
SMILESCc1ccc(Cl)c(O[C@@H](C)C(=O)N2CCO[C@@H](C(=O)O)C2)c1
InChIInChI=1S/C15H18ClNO5/c1-9-3-4-11(16)12(7-9)22-10(2)14(18)17-5-6-21-13(8-17)15(19)20/h3-4,7,10,13H,5-6,8H2,1-2H3,(H,19,20)/t10-,13+/m0/s1
InChIKeyCCVIISFCMAYLIZ-GXFFZTMASA-N
XLogP1.73
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.76
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-4-[(2S)-2-(2-chloro-5-methylphenoxy)propanoyl]morpholine-2-carboxylic acid with MolForge

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Related Compounds

4-[2-(2-bromo-4-methylphenoxy)propanoyl]morpholine-2-carboxylic acid
CID 119239305
(2S)-1-(4-aminopiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one
CID 39416084
1-(4-aminopiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one
CID 119376206
1-(4-benzoylpiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one
CID 55823679
4-[2-(3-cyanophenoxy)propanoyl]morpholine-2-carboxylic acid
CID 154750600
(2R)-4-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]morpholine-2-carboxylic acid
CID 129468451
(2S)-1-[(2R)-2-[(4-chloro-3-methylphenoxy)methyl]morpholin-4-yl]-2-(2-chlorophenoxy)propan-1-one
CID 92759978
(2S)-1-[2-(2-chloro-5-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365437
2-[4-[(2R)-2-(2-chloro-5-methylphenoxy)propanoyl]piperazin-1-yl]acetonitrile
CID 95981302
4-(4-chloro-3-methylbenzoyl)morpholine-2-carboxylic acid
CID 113265061
4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylic acid
CID 62539492
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one;hydrochloride
CID 120815937

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(2S)-2-(2-chloro-5-methylphenoxy)propanoyl]morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-[(2S)-2-(2-chloro-5-methylphenoxy)propanoyl]morpholine-2-carboxylic acid (CID 129468435) is (2R)-4-[(2S)-2-(2-chloro-5-methylphenoxy)propanoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-[(2S)-2-(2-chloro-5-methylphenoxy)propanoyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-[(2S)-2-(2-chloro-5-methylphenoxy)propanoyl]morpholine-2-carboxylic acid is Cc1ccc(Cl)c(O[C@@H](C)C(=O)N2CCO[C@@H](C(=O)O)C2)c1.
What is the InChIKey of (2R)-4-[(2S)-2-(2-chloro-5-methylphenoxy)propanoyl]morpholine-2-carboxylic acid?
The InChIKey is CCVIISFCMAYLIZ-GXFFZTMASA-N. The full InChI is InChI=1S/C15H18ClNO5/c1-9-3-4-11(16)12(7-9)22-10(2)14(18)17-5-6-21-13(8-17)15(19)20/h3-4,7,10,13H,5-6,8H2,1-2H3,(H,19,20)/t10-,13+/m0/s1.
What are the key properties of (2R)-4-[(2S)-2-(2-chloro-5-methylphenoxy)propanoyl]morpholine-2-carboxylic acid?
(2R)-4-[(2S)-2-(2-chloro-5-methylphenoxy)propanoyl]morpholine-2-carboxylic acid has a molecular weight of 327.76 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(2S)-2-(2-chloro-5-methylphenoxy)propanoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 129468435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).