methyl 4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate

C12H15N3O5 — CID 115971149

IUPACmethyl 4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C(=O)Cn1cccnc1=O
InChIInChI=1S/C12H15N3O5/c1-20-11(18)9-5-8(16)6-15(9)10(17)7-14-4-2-3-13-12(14)19/h2-4,8-9,16H,5-7H2,1H3
InChIKeyHPYANVWNVLPKHF-UHFFFAOYSA-N
MW281.27 g/mol
LogP-1.62
Rot. Bonds3

About methyl 4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate

methyl 4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate (PubChem CID 115971149) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is methyl 4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate
PubChem CID115971149
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Namemethyl 4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C(=O)Cn1cccnc1=O
InChIInChI=1S/C12H15N3O5/c1-20-11(18)9-5-8(16)6-15(9)10(17)7-14-4-2-3-13-12(14)19/h2-4,8-9,16H,5-7H2,1H3
InChIKeyHPYANVWNVLPKHF-UHFFFAOYSA-N
XLogP-1.62
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-1.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-Hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43171349
4-Methoxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43172296
1-[2-(2-Oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43355585
Methyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate
CID 43623808
(2S)-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 61136710
(2S)-4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 61153710
Ethyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate
CID 61600981
(2S,4R)-4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 63858159
(2S,4S)-4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 64713152
(2R)-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 78922052
(2R,4R)-4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 79000723
3-Methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 113734834

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate (CID 115971149) is methyl 4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate is COC(=O)C1CC(O)CN1C(=O)Cn1cccnc1=O.
What is the InChIKey of methyl 4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate?
The InChIKey is HPYANVWNVLPKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-20-11(18)9-5-8(16)6-15(9)10(17)7-14-4-2-3-13-12(14)19/h2-4,8-9,16H,5-7H2,1H3.
What are the key properties of methyl 4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate?
methyl 4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate has a molecular weight of 281.27 g/mol, XLogP of -1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 115971149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).