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

C7H8N2O3 — CID 82413494

IUPAC2-(2-oxo-1H-pyrimidin-6-yl)propanoic acid
SMILESCC(C(=O)O)c1ccnc(=O)[nH]1
InChIInChI=1S/C7H8N2O3/c1-4(6(10)11)5-2-3-8-7(12)9-5/h2-4H,1H3,(H,10,11)(H,8,9,12)
InChIKeyFPOHBFLTPRFXLZ-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.04
Rot. Bonds2

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

2-(2-oxo-1H-pyrimidin-6-yl)propanoic acid (PubChem CID 82413494) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 2-(2-oxo-1H-pyrimidin-6-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-oxo-1H-pyrimidin-6-yl)propanoic acid
PubChem CID82413494
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name2-(2-oxo-1H-pyrimidin-6-yl)propanoic acid
SMILESCC(C(=O)O)c1ccnc(=O)[nH]1
InChIInChI=1S/C7H8N2O3/c1-4(6(10)11)5-2-3-8-7(12)9-5/h2-4H,1H3,(H,10,11)(H,8,9,12)
InChIKeyFPOHBFLTPRFXLZ-UHFFFAOYSA-N
XLogP-0.04
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.04
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
(2S)-2-(2-oxo-1H-pyrimidin-6-yl)propanoic acid
CID 67469247
6-Isopropyl-2-oxo-1,2-dihydropyrimidine-4-carboxylic acid
CID 16876432
6-ethyl-2-oxo-1H-pyrimidine-4-carboxylic acid
CID 33695345
2-(2-sulfanylidene-1H-pyrimidin-6-yl)propanoic acid
CID 82406696
2-(5-methyl-2-oxo-1H-pyrimidin-6-yl)acetic acid
CID 82413431
2-(3-Methyl-2-oxopyrimidin-4-yl)acetic acid
CID 83851811
2-(4-ethyl-2-oxo-1H-pyrimidin-6-yl)acetic acid
CID 83851905
2-(2-oxo-4-propan-2-yl-1H-pyrimidin-6-yl)acetic acid
CID 83852050
2-(3-Tert-butyl-2-oxopyrimidin-4-yl)acetic acid
CID 83852233
2-[3-(2-Methylpropyl)-2-oxopyrimidin-4-yl]acetic acid
CID 83852234
2-(4-amino-2-oxo-1H-pyrimidin-6-yl)propanoic acid
CID 83857327

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1H-pyrimidin-6-yl)propanoic acid?
The IUPAC name of 2-(2-oxo-1H-pyrimidin-6-yl)propanoic acid (CID 82413494) is 2-(2-oxo-1H-pyrimidin-6-yl)propanoic acid.
What is the SMILES notation for 2-(2-oxo-1H-pyrimidin-6-yl)propanoic acid?
The canonical SMILES for 2-(2-oxo-1H-pyrimidin-6-yl)propanoic acid is CC(C(=O)O)c1ccnc(=O)[nH]1.
What is the InChIKey of 2-(2-oxo-1H-pyrimidin-6-yl)propanoic acid?
The InChIKey is FPOHBFLTPRFXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-4(6(10)11)5-2-3-8-7(12)9-5/h2-4H,1H3,(H,10,11)(H,8,9,12).
What are the key properties of 2-(2-oxo-1H-pyrimidin-6-yl)propanoic acid?
2-(2-oxo-1H-pyrimidin-6-yl)propanoic acid has a molecular weight of 168.15 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1H-pyrimidin-6-yl)propanoic acid is sourced from PubChem (CID 82413494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).