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

C7H8N2O3 — CID 67469247

IUPAC(2S)-2-(2-oxo-1H-pyrimidin-6-yl)propanoic acid
SMILESC[C@H](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)/t4-/m0/s1
InChIKeyFPOHBFLTPRFXLZ-BYPYZUCNSA-N
MW168.15 g/mol
LogP-0.04
Rot. Bonds2

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

(2S)-2-(2-oxo-1H-pyrimidin-6-yl)propanoic acid (PubChem CID 67469247) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is (2S)-2-(2-oxo-1H-pyrimidin-6-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(2-oxo-1H-pyrimidin-6-yl)propanoic acid
PubChem CID67469247
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name(2S)-2-(2-oxo-1H-pyrimidin-6-yl)propanoic acid
SMILESC[C@H](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)/t4-/m0/s1
InChIKeyFPOHBFLTPRFXLZ-BYPYZUCNSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-oxo-1H-pyrimidin-6-yl)propanoic acid?
The IUPAC name of (2S)-2-(2-oxo-1H-pyrimidin-6-yl)propanoic acid (CID 67469247) is (2S)-2-(2-oxo-1H-pyrimidin-6-yl)propanoic acid.
What is the SMILES notation for (2S)-2-(2-oxo-1H-pyrimidin-6-yl)propanoic acid?
The canonical SMILES for (2S)-2-(2-oxo-1H-pyrimidin-6-yl)propanoic acid is C[C@H](C(=O)O)c1ccnc(=O)[nH]1.
What is the InChIKey of (2S)-2-(2-oxo-1H-pyrimidin-6-yl)propanoic acid?
The InChIKey is FPOHBFLTPRFXLZ-BYPYZUCNSA-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)/t4-/m0/s1.
What are the key properties of (2S)-2-(2-oxo-1H-pyrimidin-6-yl)propanoic acid?
(2S)-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 (2S)-2-(2-oxo-1H-pyrimidin-6-yl)propanoic acid is sourced from PubChem (CID 67469247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).