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

C8H10N2O3 — CID 82468378

IUPAC3-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid
SMILESCc1cc(CCC(=O)O)nc(=O)[nH]1
InChIInChI=1S/C8H10N2O3/c1-5-4-6(2-3-7(11)12)10-8(13)9-5/h4H,2-3H2,1H3,(H,11,12)(H,9,10,13)
InChIKeyLTKVWZRPFJFWLR-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.10
Rot. Bonds3

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

3-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid (PubChem CID 82468378) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 3-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid
PubChem CID82468378
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name3-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid
SMILESCc1cc(CCC(=O)O)nc(=O)[nH]1
InChIInChI=1S/C8H10N2O3/c1-5-4-6(2-3-7(11)12)10-8(13)9-5/h4H,2-3H2,1H3,(H,11,12)(H,9,10,13)
InChIKeyLTKVWZRPFJFWLR-UHFFFAOYSA-N
XLogP0.10
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-Dihydro-4,6-dimethyl-2-oxo-5-pyrimidineacetic acid
CID 7063871
3-(4,6-Dimethyl-2-oxo-1,2-dihydropyrimidin-5-yl)propanoic acid
CID 18801927
3-(4,6-Dimethyl-2-oxo-1,2-dihydropyrimidin-5-yl)propanoic acid hydrochloride
CID 71756564
2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)acetic acid
CID 82468023
4-(6-methyl-2-oxo-1H-pyrimidin-4-yl)butanoic acid
CID 82469194
2-oxo-6-propyl-1H-pyrimidine-4-carboxylic acid
CID 82637017
2-(4-ethyl-2-oxo-1H-pyrimidin-6-yl)acetic acid
CID 83851905
2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid
CID 83858503
2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)butanoic acid
CID 83858504
2-methyl-2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid
CID 83858506
1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclopropane-1-carboxylic acid
CID 83858507
1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclobutane-1-carboxylic acid
CID 83858508

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid?
The IUPAC name of 3-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid (CID 82468378) is 3-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid.
What is the SMILES notation for 3-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid?
The canonical SMILES for 3-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid is Cc1cc(CCC(=O)O)nc(=O)[nH]1.
What is the InChIKey of 3-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid?
The InChIKey is LTKVWZRPFJFWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-5-4-6(2-3-7(11)12)10-8(13)9-5/h4H,2-3H2,1H3,(H,11,12)(H,9,10,13).
What are the key properties of 3-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid?
3-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid has a molecular weight of 182.18 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid is sourced from PubChem (CID 82468378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).