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

C7H8N2O3 — CID 82413493

IUPAC3-(2-oxo-1H-pyrimidin-6-yl)propanoic acid
SMILESO=C(O)CCc1ccnc(=O)[nH]1
InChIInChI=1S/C7H8N2O3/c10-6(11)2-1-5-3-4-8-7(12)9-5/h3-4H,1-2H2,(H,10,11)(H,8,9,12)
InChIKeyGFVPYNAVFUZLAK-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.21
Rot. Bonds3

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

3-(2-oxo-1H-pyrimidin-6-yl)propanoic acid (PubChem CID 82413493) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 3-(2-oxo-1H-pyrimidin-6-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-oxo-1H-pyrimidin-6-yl)propanoic acid
PubChem CID82413493
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name3-(2-oxo-1H-pyrimidin-6-yl)propanoic acid
SMILESO=C(O)CCc1ccnc(=O)[nH]1
InChIInChI=1S/C7H8N2O3/c10-6(11)2-1-5-3-4-8-7(12)9-5/h3-4H,1-2H2,(H,10,11)(H,8,9,12)
InChIKeyGFVPYNAVFUZLAK-UHFFFAOYSA-N
XLogP-0.21
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-oxo-1H-pyrimidin-6-yl)acetic acid
CID 21113461
4-(4,6-dimethyl-2-oxo-1H-pyrimidin-3-ium-3-yl)butanoic acid
CID 52953955
4-(2-oxo-1H-pyrimidin-6-yl)butanoic acid
CID 82408016
3-(4-amino-2-oxo-1H-pyrimidin-6-yl)propanoic acid
CID 83857320
2-amino-3-(2-oxo-1H-pyrimidin-6-yl)propanoic acid
CID 119093984

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1H-pyrimidin-6-yl)propanoic acid?
The IUPAC name of 3-(2-oxo-1H-pyrimidin-6-yl)propanoic acid (CID 82413493) is 3-(2-oxo-1H-pyrimidin-6-yl)propanoic acid.
What is the SMILES notation for 3-(2-oxo-1H-pyrimidin-6-yl)propanoic acid?
The canonical SMILES for 3-(2-oxo-1H-pyrimidin-6-yl)propanoic acid is O=C(O)CCc1ccnc(=O)[nH]1.
What is the InChIKey of 3-(2-oxo-1H-pyrimidin-6-yl)propanoic acid?
The InChIKey is GFVPYNAVFUZLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c10-6(11)2-1-5-3-4-8-7(12)9-5/h3-4H,1-2H2,(H,10,11)(H,8,9,12).
What are the key properties of 3-(2-oxo-1H-pyrimidin-6-yl)propanoic acid?
3-(2-oxo-1H-pyrimidin-6-yl)propanoic acid has a molecular weight of 168.15 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1H-pyrimidin-6-yl)propanoic acid is sourced from PubChem (CID 82413493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).