2-[4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]acetic acid

C15H23N3O4 — CID 119248048

IUPAC2-[4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]acetic acid
SMILESCc1nn(C)c(C)c1C(C)C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C15H23N3O4/c1-9(14-10(2)16-17(4)11(14)3)15(21)18-5-6-22-12(8-18)7-13(19)20/h9,12H,5-8H2,1-4H3,(H,19,20)
InChIKeySBLKVUCGTSXUMD-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.84
Rot. Bonds4

About 2-[4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]acetic acid

2-[4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]acetic acid (PubChem CID 119248048) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]acetic acid
PubChem CID119248048
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name2-[4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]acetic acid
SMILESCc1nn(C)c(C)c1C(C)C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C15H23N3O4/c1-9(14-10(2)16-17(4)11(14)3)15(21)18-5-6-22-12(8-18)7-13(19)20/h9,12H,5-8H2,1-4H3,(H,19,20)
InChIKeySBLKVUCGTSXUMD-UHFFFAOYSA-N
XLogP0.84
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid
CID 66433437
2-[(2S)-4-(3,5-dimethyl-1-propylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124684475
1-[3-(methylamino)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 119488745
2-[4-(2-methyl-3-methylsulfanylpropanoyl)morpholin-2-yl]acetic acid
CID 119248244
2-[4-(2,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid
CID 66421729
4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholine-3-carboxylic acid
CID 119216253
2-[4-[2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid
CID 120527715
(2S)-1-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 100837829
2-[4-[2-(azetidin-3-yl)propanoyl]morpholin-2-yl]acetic acid
CID 116678324
2-[4-[(2S)-2-amino-3-methylpentanoyl]morpholin-2-yl]acetic acid
CID 66433819
2-[4-(diethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435597
2-[4-(2-butoxypropanoyl)morpholin-2-yl]acetic acid
CID 119248222

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]acetic acid (CID 119248048) is 2-[4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]acetic acid is Cc1nn(C)c(C)c1C(C)C(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]acetic acid?
The InChIKey is SBLKVUCGTSXUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-9(14-10(2)16-17(4)11(14)3)15(21)18-5-6-22-12(8-18)7-13(19)20/h9,12H,5-8H2,1-4H3,(H,19,20).
What are the key properties of 2-[4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]acetic acid?
2-[4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]acetic acid has a molecular weight of 309.37 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 119248048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).