4-oxo-4-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]butanoic acid

C11H15N3O4 — CID 125026828

IUPAC4-oxo-4-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]butanoic acid
SMILESO=C(O)CCC(=O)N1CCOC[C@@H]1c1ccn[nH]1
InChIInChI=1S/C11H15N3O4/c15-10(1-2-11(16)17)14-5-6-18-7-9(14)8-3-4-12-13-8/h3-4,9H,1-2,5-7H2,(H,12,13)(H,16,17)/t9-/m1/s1
InChIKeyZWJFZKBCTGBXEU-SECBINFHSA-N
MW253.26 g/mol
LogP0.17
Rot. Bonds4

About 4-oxo-4-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]butanoic acid

4-oxo-4-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]butanoic acid (PubChem CID 125026828) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-oxo-4-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]butanoic acid.

Molecular Properties

Compound Name4-oxo-4-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]butanoic acid
PubChem CID125026828
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name4-oxo-4-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]butanoic acid
SMILESO=C(O)CCC(=O)N1CCOC[C@@H]1c1ccn[nH]1
InChIInChI=1S/C11H15N3O4/c15-10(1-2-11(16)17)14-5-6-18-7-9(14)8-3-4-12-13-8/h3-4,9H,1-2,5-7H2,(H,12,13)(H,16,17)/t9-/m1/s1
InChIKeyZWJFZKBCTGBXEU-SECBINFHSA-N
XLogP0.17
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylpyrazol-3-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one
CID 110114754
3-(2-ethylimidazol-1-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one
CID 125006153
3-(2-ethylimidazol-1-yl)-1-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one
CID 125006152
3-(1,5-dimethylpyrazol-4-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one
CID 125001935
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone
CID 110114673
1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-2-pyridin-3-ylethanone
CID 124991678
2-(5-methylthiophen-2-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone
CID 110114639
(5-methyl-1,2-oxazol-3-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 110114599
(1-methylpyrrol-2-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 125019638
(1-propan-2-ylpiperidin-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124991742
(3-ethyl-1,2-oxazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124966215
[4-[(dimethylamino)methyl]phenyl]-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 125002959

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]butanoic acid?
The IUPAC name of 4-oxo-4-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]butanoic acid (CID 125026828) is 4-oxo-4-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]butanoic acid.
What is the SMILES notation for 4-oxo-4-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]butanoic acid?
The canonical SMILES for 4-oxo-4-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]butanoic acid is O=C(O)CCC(=O)N1CCOC[C@@H]1c1ccn[nH]1.
What is the InChIKey of 4-oxo-4-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]butanoic acid?
The InChIKey is ZWJFZKBCTGBXEU-SECBINFHSA-N. The full InChI is InChI=1S/C11H15N3O4/c15-10(1-2-11(16)17)14-5-6-18-7-9(14)8-3-4-12-13-8/h3-4,9H,1-2,5-7H2,(H,12,13)(H,16,17)/t9-/m1/s1.
What are the key properties of 4-oxo-4-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]butanoic acid?
4-oxo-4-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]butanoic acid has a molecular weight of 253.26 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]butanoic acid is sourced from PubChem (CID 125026828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).