2-hydroxy-2-[4-[1-(2-methoxy-4-pyridinyl)pyrazol-3-yl]-3-oxomorpholin-2-yl]propanoic acid

C16H18N4O6 — CID 118496465

IUPAC2-hydroxy-2-[4-[1-(2-methoxy-4-pyridinyl)pyrazol-3-yl]-3-oxomorpholin-2-yl]propanoic acid
SMILESCOc1cc(-n2ccc(N3CCOC(C(C)(O)C(=O)O)C3=O)n2)ccn1
InChIInChI=1S/C16H18N4O6/c1-16(24,15(22)23)13-14(21)19(7-8-26-13)11-4-6-20(18-11)10-3-5-17-12(9-10)25-2/h3-6,9,13,24H,7-8H2,1-2H3,(H,22,23)
InChIKeyQGOJWJSMYHQZSR-UHFFFAOYSA-N
MW362.34 g/mol
LogP-0.16
Rot. Bonds5

About 2-hydroxy-2-[4-[1-(2-methoxy-4-pyridinyl)pyrazol-3-yl]-3-oxomorpholin-2-yl]propanoic acid

2-hydroxy-2-[4-[1-(2-methoxy-4-pyridinyl)pyrazol-3-yl]-3-oxomorpholin-2-yl]propanoic acid (PubChem CID 118496465) has the molecular formula C16H18N4O6 and a molecular weight of 362.34 g/mol. Its IUPAC name is 2-hydroxy-2-[4-[1-(2-methoxy-4-pyridinyl)pyrazol-3-yl]-3-oxomorpholin-2-yl]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-[4-[1-(2-methoxy-4-pyridinyl)pyrazol-3-yl]-3-oxomorpholin-2-yl]propanoic acid
PubChem CID118496465
Molecular FormulaC16H18N4O6
Molecular Weight362.34 g/mol
Exact Mass362.12
IUPAC Name2-hydroxy-2-[4-[1-(2-methoxy-4-pyridinyl)pyrazol-3-yl]-3-oxomorpholin-2-yl]propanoic acid
SMILESCOc1cc(-n2ccc(N3CCOC(C(C)(O)C(=O)O)C3=O)n2)ccn1
InChIInChI=1S/C16H18N4O6/c1-16(24,15(22)23)13-14(21)19(7-8-26-13)11-4-6-20(18-11)10-3-5-17-12(9-10)25-2/h3-6,9,13,24H,7-8H2,1-2H3,(H,22,23)
InChIKeyQGOJWJSMYHQZSR-UHFFFAOYSA-N
XLogP-0.16
TPSA127.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[4-[1-(2-methoxy-4-pyridinyl)pyrazol-3-yl]-3-oxomorpholin-2-yl]propanoic acid?
The IUPAC name of 2-hydroxy-2-[4-[1-(2-methoxy-4-pyridinyl)pyrazol-3-yl]-3-oxomorpholin-2-yl]propanoic acid (CID 118496465) is 2-hydroxy-2-[4-[1-(2-methoxy-4-pyridinyl)pyrazol-3-yl]-3-oxomorpholin-2-yl]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-[4-[1-(2-methoxy-4-pyridinyl)pyrazol-3-yl]-3-oxomorpholin-2-yl]propanoic acid?
The canonical SMILES for 2-hydroxy-2-[4-[1-(2-methoxy-4-pyridinyl)pyrazol-3-yl]-3-oxomorpholin-2-yl]propanoic acid is COc1cc(-n2ccc(N3CCOC(C(C)(O)C(=O)O)C3=O)n2)ccn1.
What is the InChIKey of 2-hydroxy-2-[4-[1-(2-methoxy-4-pyridinyl)pyrazol-3-yl]-3-oxomorpholin-2-yl]propanoic acid?
The InChIKey is QGOJWJSMYHQZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O6/c1-16(24,15(22)23)13-14(21)19(7-8-26-13)11-4-6-20(18-11)10-3-5-17-12(9-10)25-2/h3-6,9,13,24H,7-8H2,1-2H3,(H,22,23).
What are the key properties of 2-hydroxy-2-[4-[1-(2-methoxy-4-pyridinyl)pyrazol-3-yl]-3-oxomorpholin-2-yl]propanoic acid?
2-hydroxy-2-[4-[1-(2-methoxy-4-pyridinyl)pyrazol-3-yl]-3-oxomorpholin-2-yl]propanoic acid has a molecular weight of 362.34 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[4-[1-(2-methoxy-4-pyridinyl)pyrazol-3-yl]-3-oxomorpholin-2-yl]propanoic acid is sourced from PubChem (CID 118496465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).