2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid

C12H14N4O3 — CID 79371898

IUPAC2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCc1noc2ncnc(N3CCC(C(=O)O)C3C)c12
InChIInChI=1S/C12H14N4O3/c1-6-9-10(13-5-14-11(9)19-15-6)16-4-3-8(7(16)2)12(17)18/h5,7-8H,3-4H2,1-2H3,(H,17,18)
InChIKeyJWTKRSHMBPOQPO-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.23
Rot. Bonds2

About 2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid

2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 79371898) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID79371898
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCc1noc2ncnc(N3CCC(C(=O)O)C3C)c12
InChIInChI=1S/C12H14N4O3/c1-6-9-10(13-5-14-11(9)19-15-6)16-4-3-8(7(16)2)12(17)18/h5,7-8H,3-4H2,1-2H3,(H,17,18)
InChIKeyJWTKRSHMBPOQPO-UHFFFAOYSA-N
XLogP1.23
TPSA92.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid (CID 79371898) is 2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid is Cc1noc2ncnc(N3CCC(C(=O)O)C3C)c12.
What is the InChIKey of 2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is JWTKRSHMBPOQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-6-9-10(13-5-14-11(9)19-15-6)16-4-3-8(7(16)2)12(17)18/h5,7-8H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 262.27 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79371898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).