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

C7H8N2O4 — CID 105440928

IUPAC2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid
SMILESCC(C(=O)O)c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C7H8N2O4/c1-3(7(12)13)6-8-4(10)2-5(11)9-6/h2-3H,1H3,(H,12,13)(H2,8,9,10,11)
InChIKeyDIRLPYNCASVCCI-UHFFFAOYSA-N
MW184.15 g/mol
LogP-0.34
Rot. Bonds2

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

2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid (PubChem CID 105440928) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid
PubChem CID105440928
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid
SMILESCC(C(=O)O)c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C7H8N2O4/c1-3(7(12)13)6-8-4(10)2-5(11)9-6/h2-3H,1H3,(H,12,13)(H2,8,9,10,11)
InChIKeyDIRLPYNCASVCCI-UHFFFAOYSA-N
XLogP-0.34
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid?
The IUPAC name of 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid (CID 105440928) is 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid.
What is the SMILES notation for 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid?
The canonical SMILES for 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid is CC(C(=O)O)c1nc(O)cc(=O)[nH]1.
What is the InChIKey of 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid?
The InChIKey is DIRLPYNCASVCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-3(7(12)13)6-8-4(10)2-5(11)9-6/h2-3H,1H3,(H,12,13)(H2,8,9,10,11).
What are the key properties of 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid?
2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid has a molecular weight of 184.15 g/mol, XLogP of -0.34, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid is sourced from PubChem (CID 105440928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).