2-[(2R)-4-[2-(4-chloro-2-methylphenoxy)acetyl]morpholin-2-yl]acetic acid

C15H18ClNO5 — CID 125118700

IUPAC2-[(2R)-4-[2-(4-chloro-2-methylphenoxy)acetyl]morpholin-2-yl]acetic acid
SMILESCc1cc(Cl)ccc1OCC(=O)N1CCO[C@H](CC(=O)O)C1
InChIInChI=1S/C15H18ClNO5/c1-10-6-11(16)2-3-13(10)22-9-14(18)17-4-5-21-12(8-17)7-15(19)20/h2-3,6,12H,4-5,7-9H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeyMBUSCOPTKZBHJS-GFCCVEGCSA-N
MW327.76 g/mol
LogP1.73
Rot. Bonds5

About 2-[(2R)-4-[2-(4-chloro-2-methylphenoxy)acetyl]morpholin-2-yl]acetic acid

2-[(2R)-4-[2-(4-chloro-2-methylphenoxy)acetyl]morpholin-2-yl]acetic acid (PubChem CID 125118700) has the molecular formula C15H18ClNO5 and a molecular weight of 327.76 g/mol. Its IUPAC name is 2-[(2R)-4-[2-(4-chloro-2-methylphenoxy)acetyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-4-[2-(4-chloro-2-methylphenoxy)acetyl]morpholin-2-yl]acetic acid
PubChem CID125118700
Molecular FormulaC15H18ClNO5
Molecular Weight327.76 g/mol
Exact Mass327.09
IUPAC Name2-[(2R)-4-[2-(4-chloro-2-methylphenoxy)acetyl]morpholin-2-yl]acetic acid
SMILESCc1cc(Cl)ccc1OCC(=O)N1CCO[C@H](CC(=O)O)C1
InChIInChI=1S/C15H18ClNO5/c1-10-6-11(16)2-3-13(10)22-9-14(18)17-4-5-21-12(8-17)7-15(19)20/h2-3,6,12H,4-5,7-9H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeyMBUSCOPTKZBHJS-GFCCVEGCSA-N
XLogP1.73
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

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Related Compounds

1-[2-(4-chloro-2-methylphenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63032157
2-(4-chloro-2-methylphenoxy)-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 79403806
2-[4-(2-phenoxyacetyl)morpholin-2-yl]acetic acid
CID 66421533
2-(4-chloro-2-methylphenoxy)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethanone
CID 897056
2-[4-(5-chloro-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82883345
1-[2-(4-chloro-2-methylphenoxy)acetyl]piperidine-4-carboxylic acid
CID 9156731
2-(4-chloro-2-methylphenoxy)-1-(3,4-dihydroxy-4-methylpiperidin-1-yl)ethanone
CID 156607082
2-(2,5-dichlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone
CID 110309986
2-(4-chloro-2-methylphenoxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 17173653
2-(4-chloro-2-methylphenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119559678
2-[4-[3-(2-bromo-5-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid
CID 120687853
1-(2-ethylmorpholin-4-yl)-2-(2,4,5-trichlorophenoxy)ethanone
CID 55571550

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[2-(4-chloro-2-methylphenoxy)acetyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-4-[2-(4-chloro-2-methylphenoxy)acetyl]morpholin-2-yl]acetic acid (CID 125118700) is 2-[(2R)-4-[2-(4-chloro-2-methylphenoxy)acetyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-4-[2-(4-chloro-2-methylphenoxy)acetyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-4-[2-(4-chloro-2-methylphenoxy)acetyl]morpholin-2-yl]acetic acid is Cc1cc(Cl)ccc1OCC(=O)N1CCO[C@H](CC(=O)O)C1.
What is the InChIKey of 2-[(2R)-4-[2-(4-chloro-2-methylphenoxy)acetyl]morpholin-2-yl]acetic acid?
The InChIKey is MBUSCOPTKZBHJS-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18ClNO5/c1-10-6-11(16)2-3-13(10)22-9-14(18)17-4-5-21-12(8-17)7-15(19)20/h2-3,6,12H,4-5,7-9H2,1H3,(H,19,20)/t12-/m1/s1.
What are the key properties of 2-[(2R)-4-[2-(4-chloro-2-methylphenoxy)acetyl]morpholin-2-yl]acetic acid?
2-[(2R)-4-[2-(4-chloro-2-methylphenoxy)acetyl]morpholin-2-yl]acetic acid has a molecular weight of 327.76 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[2-(4-chloro-2-methylphenoxy)acetyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 125118700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).