1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-4-carboxylic acid

C10H13N3O4 — CID 28789383

IUPAC1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2c[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C10H13N3O4/c14-8(7-5-11-10(17)12-7)13-3-1-6(2-4-13)9(15)16/h5-6H,1-4H2,(H,15,16)(H2,11,12,17)
InChIKeyKBBJOJBPDPLXRM-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.36
Rot. Bonds2

About 1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-4-carboxylic acid

1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-4-carboxylic acid (PubChem CID 28789383) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-4-carboxylic acid
PubChem CID28789383
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2c[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C10H13N3O4/c14-8(7-5-11-10(17)12-7)13-3-1-6(2-4-13)9(15)16/h5-6H,1-4H2,(H,15,16)(H2,11,12,17)
InChIKeyKBBJOJBPDPLXRM-UHFFFAOYSA-N
XLogP-0.36
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-Fluoro-2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid
CID 63557587
(2R)-2-methyl-4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 70215420
1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-4-carboxylic acid
CID 24709932
4-[(2-Oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 28789533
(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
4-[Methyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 43151802
1-[2-(2,4-Dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid
CID 43170466
1-(2-Oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-3-carboxylic acid
CID 43211104
Methyl 1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-4-carboxylate
CID 43407251
Ethyl 1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-4-carboxylate
CID 43407319
4-[(2-Oxo-1,3-dihydroimidazole-4-carbonyl)-propan-2-ylamino]butanoic acid
CID 54926608

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-4-carboxylic acid (CID 28789383) is 1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)c2c[nH]c(=O)[nH]2)CC1.
What is the InChIKey of 1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is KBBJOJBPDPLXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c14-8(7-5-11-10(17)12-7)13-3-1-6(2-4-13)9(15)16/h5-6H,1-4H2,(H,15,16)(H2,11,12,17).
What are the key properties of 1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-4-carboxylic acid?
1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of -0.36, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 28789383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).