(2R)-3-phenyl-2-[2-(1-propan-2-ylpiperidin-4-yl)imidazol-1-yl]propanoic acid

C20H27N3O2 — CID 95563260

IUPAC(2R)-3-phenyl-2-[2-(1-propan-2-ylpiperidin-4-yl)imidazol-1-yl]propanoic acid
SMILESCC(C)N1CCC(c2nccn2[C@H](Cc2ccccc2)C(=O)O)CC1
InChIInChI=1S/C20H27N3O2/c1-15(2)22-11-8-17(9-12-22)19-21-10-13-23(19)18(20(24)25)14-16-6-4-3-5-7-16/h3-7,10,13,15,17-18H,8-9,11-12,14H2,1-2H3,(H,24,25)/t18-/m1/s1
InChIKeyHGNMJLNDISRRRP-GOSISDBHSA-N
MW341.46 g/mol
LogP3.34
Rot. Bonds6

About (2R)-3-phenyl-2-[2-(1-propan-2-ylpiperidin-4-yl)imidazol-1-yl]propanoic acid

(2R)-3-phenyl-2-[2-(1-propan-2-ylpiperidin-4-yl)imidazol-1-yl]propanoic acid (PubChem CID 95563260) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is (2R)-3-phenyl-2-[2-(1-propan-2-ylpiperidin-4-yl)imidazol-1-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-3-phenyl-2-[2-(1-propan-2-ylpiperidin-4-yl)imidazol-1-yl]propanoic acid
PubChem CID95563260
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name(2R)-3-phenyl-2-[2-(1-propan-2-ylpiperidin-4-yl)imidazol-1-yl]propanoic acid
SMILESCC(C)N1CCC(c2nccn2[C@H](Cc2ccccc2)C(=O)O)CC1
InChIInChI=1S/C20H27N3O2/c1-15(2)22-11-8-17(9-12-22)19-21-10-13-23(19)18(20(24)25)14-16-6-4-3-5-7-16/h3-7,10,13,15,17-18H,8-9,11-12,14H2,1-2H3,(H,24,25)/t18-/m1/s1
InChIKeyHGNMJLNDISRRRP-GOSISDBHSA-N
XLogP3.34
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(methylamino)-2-phenyl-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone
CID 97270242
3-(2-cyclopropylimidazol-1-yl)-2-(phenylmethoxycarbonylamino)butanoic acid
CID 165495801
(2S)-3-phenyl-2-[[2-(1-propan-2-ylpiperidin-4-yl)acetyl]amino]propanoic acid
CID 72910352
3-[[2-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]acetyl]amino]benzoic acid
CID 91843953
1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-4-methylpentan-1-one
CID 70744906
2-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]-3-phenylpropanoic acid
CID 56870852
4-phenyl-2-(3-pyrimidin-2-ylpyrrolidin-1-yl)butanoic acid
CID 154872176
3-(1-propan-2-ylpiperidin-4-yl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 117147415
2-(3-methylphenyl)-1-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone
CID 72920585
1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)propan-2-ol
CID 18713539
(2R)-2-(4-fluorophenyl)-2-hydroxy-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone
CID 97140073
3-phenyl-2-(5-propan-2-ylimidazol-1-yl)propanoic acid
CID 82514099

Frequently Asked Questions

What is the IUPAC name of (2R)-3-phenyl-2-[2-(1-propan-2-ylpiperidin-4-yl)imidazol-1-yl]propanoic acid?
The IUPAC name of (2R)-3-phenyl-2-[2-(1-propan-2-ylpiperidin-4-yl)imidazol-1-yl]propanoic acid (CID 95563260) is (2R)-3-phenyl-2-[2-(1-propan-2-ylpiperidin-4-yl)imidazol-1-yl]propanoic acid.
What is the SMILES notation for (2R)-3-phenyl-2-[2-(1-propan-2-ylpiperidin-4-yl)imidazol-1-yl]propanoic acid?
The canonical SMILES for (2R)-3-phenyl-2-[2-(1-propan-2-ylpiperidin-4-yl)imidazol-1-yl]propanoic acid is CC(C)N1CCC(c2nccn2[C@H](Cc2ccccc2)C(=O)O)CC1.
What is the InChIKey of (2R)-3-phenyl-2-[2-(1-propan-2-ylpiperidin-4-yl)imidazol-1-yl]propanoic acid?
The InChIKey is HGNMJLNDISRRRP-GOSISDBHSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15(2)22-11-8-17(9-12-22)19-21-10-13-23(19)18(20(24)25)14-16-6-4-3-5-7-16/h3-7,10,13,15,17-18H,8-9,11-12,14H2,1-2H3,(H,24,25)/t18-/m1/s1.
What are the key properties of (2R)-3-phenyl-2-[2-(1-propan-2-ylpiperidin-4-yl)imidazol-1-yl]propanoic acid?
(2R)-3-phenyl-2-[2-(1-propan-2-ylpiperidin-4-yl)imidazol-1-yl]propanoic acid has a molecular weight of 341.46 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-phenyl-2-[2-(1-propan-2-ylpiperidin-4-yl)imidazol-1-yl]propanoic acid is sourced from PubChem (CID 95563260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).