methyl (2S)-2-(2-oxopyrimidin-1-yl)propanoate

C8H10N2O3 — CID 125113147

IUPACmethyl (2S)-2-(2-oxopyrimidin-1-yl)propanoate
SMILESCOC(=O)[C@H](C)n1cccnc1=O
InChIInChI=1S/C8H10N2O3/c1-6(7(11)13-2)10-5-3-4-9-8(10)12/h3-6H,1-2H3/t6-/m0/s1
InChIKeyOGOPXVAHHTYXOJ-LURJTMIESA-N
MW182.18 g/mol
LogP-0.02
Rot. Bonds2

About methyl (2S)-2-(2-oxopyrimidin-1-yl)propanoate

methyl (2S)-2-(2-oxopyrimidin-1-yl)propanoate (PubChem CID 125113147) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is methyl (2S)-2-(2-oxopyrimidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(2-oxopyrimidin-1-yl)propanoate
PubChem CID125113147
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Namemethyl (2S)-2-(2-oxopyrimidin-1-yl)propanoate
SMILESCOC(=O)[C@H](C)n1cccnc1=O
InChIInChI=1S/C8H10N2O3/c1-6(7(11)13-2)10-5-3-4-9-8(10)12/h3-6H,1-2H3/t6-/m0/s1
InChIKeyOGOPXVAHHTYXOJ-LURJTMIESA-N
XLogP-0.02
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(2-oxopyrimidin-1-yl)propanoate?
The IUPAC name of methyl (2S)-2-(2-oxopyrimidin-1-yl)propanoate (CID 125113147) is methyl (2S)-2-(2-oxopyrimidin-1-yl)propanoate.
What is the SMILES notation for methyl (2S)-2-(2-oxopyrimidin-1-yl)propanoate?
The canonical SMILES for methyl (2S)-2-(2-oxopyrimidin-1-yl)propanoate is COC(=O)[C@H](C)n1cccnc1=O.
What is the InChIKey of methyl (2S)-2-(2-oxopyrimidin-1-yl)propanoate?
The InChIKey is OGOPXVAHHTYXOJ-LURJTMIESA-N. The full InChI is InChI=1S/C8H10N2O3/c1-6(7(11)13-2)10-5-3-4-9-8(10)12/h3-6H,1-2H3/t6-/m0/s1.
What are the key properties of methyl (2S)-2-(2-oxopyrimidin-1-yl)propanoate?
methyl (2S)-2-(2-oxopyrimidin-1-yl)propanoate has a molecular weight of 182.18 g/mol, XLogP of -0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(2-oxopyrimidin-1-yl)propanoate is sourced from PubChem (CID 125113147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).