(2R)-2-(2-oxopyrimidin-1-yl)propanoic acid

C7H8N2O3 — CID 124508593

IUPAC(2R)-2-(2-oxopyrimidin-1-yl)propanoic acid
SMILESC[C@H](C(=O)O)n1cccnc1=O
InChIInChI=1S/C7H8N2O3/c1-5(6(10)11)9-4-2-3-8-7(9)12/h2-5H,1H3,(H,10,11)/t5-/m1/s1
InChIKeyOVEGTCZEHPXBMQ-RXMQYKEDSA-N
MW168.15 g/mol
LogP-0.11
Rot. Bonds2

About (2R)-2-(2-oxopyrimidin-1-yl)propanoic acid

(2R)-2-(2-oxopyrimidin-1-yl)propanoic acid (PubChem CID 124508593) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is (2R)-2-(2-oxopyrimidin-1-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-oxopyrimidin-1-yl)propanoic acid
PubChem CID124508593
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name(2R)-2-(2-oxopyrimidin-1-yl)propanoic acid
SMILESC[C@H](C(=O)O)n1cccnc1=O
InChIInChI=1S/C7H8N2O3/c1-5(6(10)11)9-4-2-3-8-7(9)12/h2-5H,1H3,(H,10,11)/t5-/m1/s1
InChIKeyOVEGTCZEHPXBMQ-RXMQYKEDSA-N
XLogP-0.11
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-oxopyrimidin-1-yl)propanoic acid?
The IUPAC name of (2R)-2-(2-oxopyrimidin-1-yl)propanoic acid (CID 124508593) is (2R)-2-(2-oxopyrimidin-1-yl)propanoic acid.
What is the SMILES notation for (2R)-2-(2-oxopyrimidin-1-yl)propanoic acid?
The canonical SMILES for (2R)-2-(2-oxopyrimidin-1-yl)propanoic acid is C[C@H](C(=O)O)n1cccnc1=O.
What is the InChIKey of (2R)-2-(2-oxopyrimidin-1-yl)propanoic acid?
The InChIKey is OVEGTCZEHPXBMQ-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-5(6(10)11)9-4-2-3-8-7(9)12/h2-5H,1H3,(H,10,11)/t5-/m1/s1.
What are the key properties of (2R)-2-(2-oxopyrimidin-1-yl)propanoic acid?
(2R)-2-(2-oxopyrimidin-1-yl)propanoic acid has a molecular weight of 168.15 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-oxopyrimidin-1-yl)propanoic acid is sourced from PubChem (CID 124508593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).