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

C11H15N3O4 — CID 55105286

IUPAC2-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)c2c[nH]c(=O)[nH]2)C1
InChIInChI=1S/C11H15N3O4/c15-9(16)4-7-2-1-3-14(6-7)10(17)8-5-12-11(18)13-8/h5,7H,1-4,6H2,(H,15,16)(H2,12,13,18)
InChIKeySWBGCSGCVQAPGG-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.03
Rot. Bonds3

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

2-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidin-3-yl]acetic acid (PubChem CID 55105286) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidin-3-yl]acetic acid
PubChem CID55105286
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)c2c[nH]c(=O)[nH]2)C1
InChIInChI=1S/C11H15N3O4/c15-9(16)4-7-2-1-3-14(6-7)10(17)8-5-12-11(18)13-8/h5,7H,1-4,6H2,(H,15,16)(H2,12,13,18)
InChIKeySWBGCSGCVQAPGG-UHFFFAOYSA-N
XLogP0.03
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2-Oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid
CID 28788693
1-(2-Oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-4-carboxylic acid
CID 28789383
(3R)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-3-carboxylic acid
CID 28789825
(3S)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-3-carboxylic acid
CID 28789828
(2S)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-2-carboxylic acid
CID 28789966
(2R)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-2-carboxylic acid
CID 28789969
1-[(2-Oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43162947
1-(2-Oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-3-carboxylic acid
CID 43211104
1-(2-Oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-2-carboxylic acid
CID 43211121
Methyl 1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-4-carboxylate
CID 43407251
2-[1-(2-Oxo-1,3-dihydroimidazole-4-carbonyl)piperidin-2-yl]acetic acid
CID 54899704
3-[1-(2-Oxo-1,3-dihydroimidazole-4-carbonyl)piperidin-4-yl]propanoic acid
CID 55049317

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidin-3-yl]acetic acid (CID 55105286) is 2-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(C(=O)c2c[nH]c(=O)[nH]2)C1.
What is the InChIKey of 2-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidin-3-yl]acetic acid?
The InChIKey is SWBGCSGCVQAPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c15-9(16)4-7-2-1-3-14(6-7)10(17)8-5-12-11(18)13-8/h5,7H,1-4,6H2,(H,15,16)(H2,12,13,18).
What are the key properties of 2-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidin-3-yl]acetic acid?
2-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidin-3-yl]acetic acid has a molecular weight of 253.26 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 55105286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).