4-[3-(2,4-dimethylphenoxy)propanoyl]morpholine-2-carboxylic acid

C16H21NO5 — CID 119239122

IUPAC4-[3-(2,4-dimethylphenoxy)propanoyl]morpholine-2-carboxylic acid
SMILESCc1ccc(OCCC(=O)N2CCOC(C(=O)O)C2)c(C)c1
InChIInChI=1S/C16H21NO5/c1-11-3-4-13(12(2)9-11)21-7-5-15(18)17-6-8-22-14(10-17)16(19)20/h3-4,9,14H,5-8,10H2,1-2H3,(H,19,20)
InChIKeySKBJJXREEKRPPI-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.38
Rot. Bonds5

About 4-[3-(2,4-dimethylphenoxy)propanoyl]morpholine-2-carboxylic acid

4-[3-(2,4-dimethylphenoxy)propanoyl]morpholine-2-carboxylic acid (PubChem CID 119239122) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-[3-(2,4-dimethylphenoxy)propanoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-(2,4-dimethylphenoxy)propanoyl]morpholine-2-carboxylic acid
PubChem CID119239122
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Name4-[3-(2,4-dimethylphenoxy)propanoyl]morpholine-2-carboxylic acid
SMILESCc1ccc(OCCC(=O)N2CCOC(C(=O)O)C2)c(C)c1
InChIInChI=1S/C16H21NO5/c1-11-3-4-13(12(2)9-11)21-7-5-15(18)17-6-8-22-14(10-17)16(19)20/h3-4,9,14H,5-8,10H2,1-2H3,(H,19,20)
InChIKeySKBJJXREEKRPPI-UHFFFAOYSA-N
XLogP1.38
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-[3-(2,4-dimethylphenyl)propanoyl]morpholine-2-carboxylic acid
CID 124696038
1-(azocan-1-yl)-3-(2,4-dimethylphenoxy)propan-1-one
CID 55575535
4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylic acid
CID 62539492
3-(2,4-dimethylphenoxy)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 119578824
4-[2-(2,4-dimethylphenyl)sulfanylacetyl]morpholine-2-carboxylic acid
CID 119357957
3-(2,4-dimethylphenoxy)-1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 124575300
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-3-(2,4-dimethylphenoxy)propan-1-one
CID 124611665
(2R)-4-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]morpholine-2-carboxylic acid
CID 129468451
4-[3-(2,3-dimethylphenoxy)propanoyl]morpholine-2-carboxamide
CID 49418283
(2R)-4-[3-(2,3-dimethylphenoxy)propanoyl]morpholine-2-carboxamide
CID 94371112
4-[4-(4-methylphenyl)butanoyl]morpholine-2-carboxylic acid
CID 119238769
1-(4-acetyl-1,4-diazepan-1-yl)-3-(2,4-dimethylphenoxy)propan-1-one
CID 134035369

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,4-dimethylphenoxy)propanoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[3-(2,4-dimethylphenoxy)propanoyl]morpholine-2-carboxylic acid (CID 119239122) is 4-[3-(2,4-dimethylphenoxy)propanoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[3-(2,4-dimethylphenoxy)propanoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[3-(2,4-dimethylphenoxy)propanoyl]morpholine-2-carboxylic acid is Cc1ccc(OCCC(=O)N2CCOC(C(=O)O)C2)c(C)c1.
What is the InChIKey of 4-[3-(2,4-dimethylphenoxy)propanoyl]morpholine-2-carboxylic acid?
The InChIKey is SKBJJXREEKRPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-11-3-4-13(12(2)9-11)21-7-5-15(18)17-6-8-22-14(10-17)16(19)20/h3-4,9,14H,5-8,10H2,1-2H3,(H,19,20).
What are the key properties of 4-[3-(2,4-dimethylphenoxy)propanoyl]morpholine-2-carboxylic acid?
4-[3-(2,4-dimethylphenoxy)propanoyl]morpholine-2-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,4-dimethylphenoxy)propanoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 119239122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).