2-[4-(1-propan-2-ylpyrazole-4-carbonyl)morpholin-3-yl]acetic acid

C13H19N3O4 — CID 56909134

IUPAC2-[4-(1-propan-2-ylpyrazole-4-carbonyl)morpholin-3-yl]acetic acid
SMILESCC(C)n1cc(C(=O)N2CCOCC2CC(=O)O)cn1
InChIInChI=1S/C13H19N3O4/c1-9(2)16-7-10(6-14-16)13(19)15-3-4-20-8-11(15)5-12(17)18/h6-7,9,11H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyXBUXXNYBMHFTFE-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.78
Rot. Bonds4

About 2-[4-(1-propan-2-ylpyrazole-4-carbonyl)morpholin-3-yl]acetic acid

2-[4-(1-propan-2-ylpyrazole-4-carbonyl)morpholin-3-yl]acetic acid (PubChem CID 56909134) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[4-(1-propan-2-ylpyrazole-4-carbonyl)morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1-propan-2-ylpyrazole-4-carbonyl)morpholin-3-yl]acetic acid
PubChem CID56909134
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-[4-(1-propan-2-ylpyrazole-4-carbonyl)morpholin-3-yl]acetic acid
SMILESCC(C)n1cc(C(=O)N2CCOCC2CC(=O)O)cn1
InChIInChI=1S/C13H19N3O4/c1-9(2)16-7-10(6-14-16)13(19)15-3-4-20-8-11(15)5-12(17)18/h6-7,9,11H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyXBUXXNYBMHFTFE-UHFFFAOYSA-N
XLogP0.78
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid
CID 124572359
2-[4-(3,5-dibromobenzoyl)morpholin-3-yl]acetic acid
CID 107971589
2-[4-(1,3-dimethylpyrazole-4-carbonyl)morpholin-3-yl]acetic acid
CID 102801314
2-[(3S)-4-(3-chloro-4-methylbenzoyl)morpholin-3-yl]acetic acid
CID 124572821
2-[(3R)-4-[4-(1,2,4-triazol-4-yl)benzoyl]morpholin-3-yl]acetic acid
CID 95711799
2-[(3S)-4-(4-pyridin-3-yloxybenzoyl)morpholin-3-yl]acetic acid
CID 129469711
2-[4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholin-3-yl]acetic acid
CID 104669843
2-[(3R)-4-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]morpholin-3-yl]acetic acid
CID 95728578
4-[(3S)-3-(2-methylpropyl)morpholine-4-carbonyl]benzoic acid
CID 124681978
2-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)morpholin-3-yl]acetic acid
CID 56905000
2-[(3S)-4-(6-phenylmethoxypyridine-3-carbonyl)morpholin-3-yl]acetic acid
CID 129469980
2-[(3R)-4-(3-fluoro-4-methoxybenzoyl)morpholin-3-yl]acetic acid
CID 129381420

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-propan-2-ylpyrazole-4-carbonyl)morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(1-propan-2-ylpyrazole-4-carbonyl)morpholin-3-yl]acetic acid (CID 56909134) is 2-[4-(1-propan-2-ylpyrazole-4-carbonyl)morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(1-propan-2-ylpyrazole-4-carbonyl)morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(1-propan-2-ylpyrazole-4-carbonyl)morpholin-3-yl]acetic acid is CC(C)n1cc(C(=O)N2CCOCC2CC(=O)O)cn1.
What is the InChIKey of 2-[4-(1-propan-2-ylpyrazole-4-carbonyl)morpholin-3-yl]acetic acid?
The InChIKey is XBUXXNYBMHFTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-9(2)16-7-10(6-14-16)13(19)15-3-4-20-8-11(15)5-12(17)18/h6-7,9,11H,3-5,8H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-(1-propan-2-ylpyrazole-4-carbonyl)morpholin-3-yl]acetic acid?
2-[4-(1-propan-2-ylpyrazole-4-carbonyl)morpholin-3-yl]acetic acid has a molecular weight of 281.31 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-propan-2-ylpyrazole-4-carbonyl)morpholin-3-yl]acetic acid is sourced from PubChem (CID 56909134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).