3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid

C7H8N2O4 — CID 82468456

IUPAC3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid
SMILESO=C(O)CCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C7H8N2O4/c10-5-3-6(11)9-4(8-5)1-2-7(12)13/h3H,1-2H2,(H,12,13)(H2,8,9,10,11)
InChIKeyZXDDHHLQTSGIOP-UHFFFAOYSA-N
MW184.15 g/mol
LogP-0.51
Rot. Bonds3

About 3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid

3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid (PubChem CID 82468456) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid
PubChem CID82468456
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid
SMILESO=C(O)CCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C7H8N2O4/c10-5-3-6(11)9-4(8-5)1-2-7(12)13/h3H,1-2H2,(H,12,13)(H2,8,9,10,11)
InChIKeyZXDDHHLQTSGIOP-UHFFFAOYSA-N
XLogP-0.51
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid?
The IUPAC name of 3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid (CID 82468456) is 3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid.
What is the SMILES notation for 3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid?
The canonical SMILES for 3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid is O=C(O)CCc1nc(O)cc(=O)[nH]1.
What is the InChIKey of 3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid?
The InChIKey is ZXDDHHLQTSGIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c10-5-3-6(11)9-4(8-5)1-2-7(12)13/h3H,1-2H2,(H,12,13)(H2,8,9,10,11).
What are the key properties of 3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid?
3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid has a molecular weight of 184.15 g/mol, XLogP of -0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid is sourced from PubChem (CID 82468456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).