4-(6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid

C9H11N3O4 — CID 136959132

IUPAC4-(6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1c1cc(=O)[nH]cn1
InChIInChI=1S/C9H11N3O4/c13-8-3-7(10-5-11-8)12-1-2-16-4-6(12)9(14)15/h3,5-6H,1-2,4H2,(H,14,15)(H,10,11,13)
InChIKeyHFJFRBMVOIAVMQ-UHFFFAOYSA-N
MW225.20 g/mol
LogP-0.94
Rot. Bonds2

About 4-(6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid

4-(6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid (PubChem CID 136959132) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 4-(6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid
PubChem CID136959132
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name4-(6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1c1cc(=O)[nH]cn1
InChIInChI=1S/C9H11N3O4/c13-8-3-7(10-5-11-8)12-1-2-16-4-6(12)9(14)15/h3,5-6H,1-2,4H2,(H,14,15)(H,10,11,13)
InChIKeyHFJFRBMVOIAVMQ-UHFFFAOYSA-N
XLogP-0.94
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid?
The IUPAC name of 4-(6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid (CID 136959132) is 4-(6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid.
What is the SMILES notation for 4-(6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid?
The canonical SMILES for 4-(6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid is O=C(O)C1COCCN1c1cc(=O)[nH]cn1.
What is the InChIKey of 4-(6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid?
The InChIKey is HFJFRBMVOIAVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c13-8-3-7(10-5-11-8)12-1-2-16-4-6(12)9(14)15/h3,5-6H,1-2,4H2,(H,14,15)(H,10,11,13).
What are the key properties of 4-(6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid?
4-(6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid has a molecular weight of 225.20 g/mol, XLogP of -0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid is sourced from PubChem (CID 136959132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).