2-[(2R)-1-(2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]acetic acid

C14H21N3O2 — CID 164636434

IUPAC2-[(2R)-1-(2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]acetic acid
SMILESCC(C)c1nccc(N2CCCC[C@@H]2CC(=O)O)n1
InChIInChI=1S/C14H21N3O2/c1-10(2)14-15-7-6-12(16-14)17-8-4-3-5-11(17)9-13(18)19/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,18,19)/t11-/m1/s1
InChIKeyNYUIEVCAXHFTNH-LLVKDONJSA-N
MW263.34 g/mol
LogP2.43
Rot. Bonds4

About 2-[(2R)-1-(2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]acetic acid

2-[(2R)-1-(2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]acetic acid (PubChem CID 164636434) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(2R)-1-(2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-1-(2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]acetic acid
PubChem CID164636434
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[(2R)-1-(2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]acetic acid
SMILESCC(C)c1nccc(N2CCCC[C@@H]2CC(=O)O)n1
InChIInChI=1S/C14H21N3O2/c1-10(2)14-15-7-6-12(16-14)17-8-4-3-5-11(17)9-13(18)19/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,18,19)/t11-/m1/s1
InChIKeyNYUIEVCAXHFTNH-LLVKDONJSA-N
XLogP2.43
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 66881162
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CID 104605875
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CID 127267028
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CID 129561630
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CID 129561632
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CID 51046230
CID 51046230

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-1-(2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]acetic acid (CID 164636434) is 2-[(2R)-1-(2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-1-(2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-1-(2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]acetic acid is CC(C)c1nccc(N2CCCC[C@@H]2CC(=O)O)n1.
What is the InChIKey of 2-[(2R)-1-(2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]acetic acid?
The InChIKey is NYUIEVCAXHFTNH-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(2)14-15-7-6-12(16-14)17-8-4-3-5-11(17)9-13(18)19/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,18,19)/t11-/m1/s1.
What are the key properties of 2-[(2R)-1-(2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]acetic acid?
2-[(2R)-1-(2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]acetic acid has a molecular weight of 263.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 164636434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).