2-[3-(2-methylpyrimidin-5-yl)oxolan-3-yl]acetic acid

C11H14N2O3 — CID 83822759

IUPAC2-[3-(2-methylpyrimidin-5-yl)oxolan-3-yl]acetic acid
SMILESCc1ncc(C2(CC(=O)O)CCOC2)cn1
InChIInChI=1S/C11H14N2O3/c1-8-12-5-9(6-13-8)11(4-10(14)15)2-3-16-7-11/h5-6H,2-4,7H2,1H3,(H,14,15)
InChIKeyCEBABHGSBUGGMF-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.92
Rot. Bonds3

About 2-[3-(2-methylpyrimidin-5-yl)oxolan-3-yl]acetic acid

2-[3-(2-methylpyrimidin-5-yl)oxolan-3-yl]acetic acid (PubChem CID 83822759) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-[3-(2-methylpyrimidin-5-yl)oxolan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-methylpyrimidin-5-yl)oxolan-3-yl]acetic acid
PubChem CID83822759
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-[3-(2-methylpyrimidin-5-yl)oxolan-3-yl]acetic acid
SMILESCc1ncc(C2(CC(=O)O)CCOC2)cn1
InChIInChI=1S/C11H14N2O3/c1-8-12-5-9(6-13-8)11(4-10(14)15)2-3-16-7-11/h5-6H,2-4,7H2,1H3,(H,14,15)
InChIKeyCEBABHGSBUGGMF-UHFFFAOYSA-N
XLogP0.92
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,4,4-Trifluoro-3-(2-methylpyrimidin-5-yl)butanoic acid
CID 83824186
4,4-Dimethyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]pentanoic acid
CID 150660275
4,4-Dimethyl-3-[2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]pentanoic acid
CID 150666777
Ethyl 4,4-dimethyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]pentanoate
CID 152105264
3-(2-methoxy-5-pyrimidinyl)Pentanedioic acid
CID 11276493
(3S)-5-methoxy-3-(2-methoxypyrimidin-5-yl)-5-oxopentanoic acid
CID 11402554
ethyl (RS)-2-[2-(2-methylprop-2-yl)pyrimidin-5-yl]-3-methylbutyrate
CID 13911485
Ethyl 3-methyl-2-(2-propan-2-ylpyrimidin-5-yl)butanoate
CID 13911488
Ethyl 3-methyl-2-[2-(2-methylbutan-2-yl)pyrimidin-5-yl]butanoate
CID 13911491
5-Pyrimidineacetic acid, 2-(1,1-dimethylpropyl)--alpha--(1-methylethyl)-(9CI)
CID 13911499
Ethyl 2-(2-tert-butylpyrimidin-5-yl)butanoate
CID 14718691
ethyl (RS)-2-[2-(1,1-dimethylethyl)pyrimidin-5-yl]-3,3-dimethylbutanoate
CID 14718703

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpyrimidin-5-yl)oxolan-3-yl]acetic acid?
The IUPAC name of 2-[3-(2-methylpyrimidin-5-yl)oxolan-3-yl]acetic acid (CID 83822759) is 2-[3-(2-methylpyrimidin-5-yl)oxolan-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(2-methylpyrimidin-5-yl)oxolan-3-yl]acetic acid?
The canonical SMILES for 2-[3-(2-methylpyrimidin-5-yl)oxolan-3-yl]acetic acid is Cc1ncc(C2(CC(=O)O)CCOC2)cn1.
What is the InChIKey of 2-[3-(2-methylpyrimidin-5-yl)oxolan-3-yl]acetic acid?
The InChIKey is CEBABHGSBUGGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8-12-5-9(6-13-8)11(4-10(14)15)2-3-16-7-11/h5-6H,2-4,7H2,1H3,(H,14,15).
What are the key properties of 2-[3-(2-methylpyrimidin-5-yl)oxolan-3-yl]acetic acid?
2-[3-(2-methylpyrimidin-5-yl)oxolan-3-yl]acetic acid has a molecular weight of 222.24 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpyrimidin-5-yl)oxolan-3-yl]acetic acid is sourced from PubChem (CID 83822759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).