trans-(1R,2R)-2-[2-(2-methoxypyrimidin-5-yl)phenyl]cyclopropane-1-carboxylic acid

C15H14N2O3 — CID 167980560

IUPACtrans-(1R,2R)-2-[2-(2-methoxypyrimidin-5-yl)phenyl]cyclopropane-1-carboxylic acid
SMILESCOc1ncc(-c2ccccc2[C@@H]2C[C@H]2C(=O)O)cn1
InChIInChI=1S/C15H14N2O3/c1-20-15-16-7-9(8-17-15)10-4-2-3-5-11(10)12-6-13(12)14(18)19/h2-5,7-8,12-13H,6H2,1H3,(H,18,19)/t12-,13+/m0/s1
InChIKeyADLGXXXGEZQHTC-QWHCGFSZSA-N
MW270.29 g/mol
LogP2.34
Rot. Bonds4

About trans-(1R,2R)-2-[2-(2-methoxypyrimidin-5-yl)phenyl]cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-[2-(2-methoxypyrimidin-5-yl)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 167980560) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is trans-(1R,2R)-2-[2-(2-methoxypyrimidin-5-yl)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[2-(2-methoxypyrimidin-5-yl)phenyl]cyclopropane-1-carboxylic acid
PubChem CID167980560
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Nametrans-(1R,2R)-2-[2-(2-methoxypyrimidin-5-yl)phenyl]cyclopropane-1-carboxylic acid
SMILESCOc1ncc(-c2ccccc2[C@@H]2C[C@H]2C(=O)O)cn1
InChIInChI=1S/C15H14N2O3/c1-20-15-16-7-9(8-17-15)10-4-2-3-5-11(10)12-6-13(12)14(18)19/h2-5,7-8,12-13H,6H2,1H3,(H,18,19)/t12-,13+/m0/s1
InChIKeyADLGXXXGEZQHTC-QWHCGFSZSA-N
XLogP2.34
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-2-[2-(2,3-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 166242383
N-(cyanomethyl)-2-[2-(2-methoxypyrimidin-5-yl)phenyl]cyclohexane-1-carboxamide
CID 11256613
2-(2-methoxypyrimidin-5-yl)aniline
CID 105453472
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 67289393
2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 158316657
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
2-(2-methoxy-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid
CID 130590503
2-(3-ethoxy-2-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 82228543
trans-(1R,2R)-2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridinyl]cyclopropane-1-carboxylic acid
CID 167729661
2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid
CID 67289450
trans-(1R,2R)-2-(5-bromo-2-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 93299464

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[2-(2-methoxypyrimidin-5-yl)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-[2-(2-methoxypyrimidin-5-yl)phenyl]cyclopropane-1-carboxylic acid (CID 167980560) is trans-(1R,2R)-2-[2-(2-methoxypyrimidin-5-yl)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-[2-(2-methoxypyrimidin-5-yl)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-[2-(2-methoxypyrimidin-5-yl)phenyl]cyclopropane-1-carboxylic acid is COc1ncc(-c2ccccc2[C@@H]2C[C@H]2C(=O)O)cn1.
What is the InChIKey of trans-(1R,2R)-2-[2-(2-methoxypyrimidin-5-yl)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is ADLGXXXGEZQHTC-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-20-15-16-7-9(8-17-15)10-4-2-3-5-11(10)12-6-13(12)14(18)19/h2-5,7-8,12-13H,6H2,1H3,(H,18,19)/t12-,13+/m0/s1.
What are the key properties of trans-(1R,2R)-2-[2-(2-methoxypyrimidin-5-yl)phenyl]cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-[2-(2-methoxypyrimidin-5-yl)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[2-(2-methoxypyrimidin-5-yl)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 167980560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).