2-[4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid

C11H15N3O5 — CID 136959219

IUPAC2-[4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid
SMILESCOc1c(N2CCOC(CC(=O)O)C2)nc[nH]c1=O
InChIInChI=1S/C11H15N3O5/c1-18-9-10(12-6-13-11(9)17)14-2-3-19-7(5-14)4-8(15)16/h6-7H,2-5H2,1H3,(H,15,16)(H,12,13,17)
InChIKeyWYHXPBHNGAXMCS-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.54
Rot. Bonds4

About 2-[4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid

2-[4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid (PubChem CID 136959219) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-[4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid
PubChem CID136959219
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name2-[4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid
SMILESCOc1c(N2CCOC(CC(=O)O)C2)nc[nH]c1=O
InChIInChI=1S/C11H15N3O5/c1-18-9-10(12-6-13-11(9)17)14-2-3-19-7(5-14)4-8(15)16/h6-7H,2-5H2,1H3,(H,15,16)(H,12,13,17)
InChIKeyWYHXPBHNGAXMCS-UHFFFAOYSA-N
XLogP-0.54
TPSA104.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid (CID 136959219) is 2-[4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid is COc1c(N2CCOC(CC(=O)O)C2)nc[nH]c1=O.
What is the InChIKey of 2-[4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid?
The InChIKey is WYHXPBHNGAXMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-18-9-10(12-6-13-11(9)17)14-2-3-19-7(5-14)4-8(15)16/h6-7H,2-5H2,1H3,(H,15,16)(H,12,13,17).
What are the key properties of 2-[4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid?
2-[4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid has a molecular weight of 269.26 g/mol, XLogP of -0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 136959219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).