3-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidin-4-yl]propanoic acid

C12H17N3O4 — CID 55049317

IUPAC3-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)c2c[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C12H17N3O4/c16-10(17)2-1-8-3-5-15(6-4-8)11(18)9-7-13-12(19)14-9/h7-8H,1-6H2,(H,16,17)(H2,13,14,19)
InChIKeyBAVZMZVKRQTLNS-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.42
Rot. Bonds4

About 3-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidin-4-yl]propanoic acid

3-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidin-4-yl]propanoic acid (PubChem CID 55049317) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidin-4-yl]propanoic acid
PubChem CID55049317
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name3-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)c2c[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C12H17N3O4/c16-10(17)2-1-8-3-5-15(6-4-8)11(18)9-7-13-12(19)14-9/h7-8H,1-6H2,(H,16,17)(H2,13,14,19)
InChIKeyBAVZMZVKRQTLNS-UHFFFAOYSA-N
XLogP0.42
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidin-4-yl]propanoic acid (CID 55049317) is 3-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidin-4-yl]propanoic acid is O=C(O)CCC1CCN(C(=O)c2c[nH]c(=O)[nH]2)CC1.
What is the InChIKey of 3-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidin-4-yl]propanoic acid?
The InChIKey is BAVZMZVKRQTLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c16-10(17)2-1-8-3-5-15(6-4-8)11(18)9-7-13-12(19)14-9/h7-8H,1-6H2,(H,16,17)(H2,13,14,19).
What are the key properties of 3-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidin-4-yl]propanoic acid?
3-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidin-4-yl]propanoic acid has a molecular weight of 267.28 g/mol, XLogP of 0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 55049317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).