1-(1H-imidazole-2-carbonyl)piperidine-2-carboxylic acid

C10H13N3O3 — CID 110466478

IUPAC1-(1H-imidazole-2-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)c1ncc[nH]1
InChIInChI=1S/C10H13N3O3/c14-9(8-11-4-5-12-8)13-6-2-1-3-7(13)10(15)16/h4-5,7H,1-3,6H2,(H,11,12)(H,15,16)
InChIKeyZHKDNICFOUNIJN-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.49
Rot. Bonds2

About 1-(1H-imidazole-2-carbonyl)piperidine-2-carboxylic acid

1-(1H-imidazole-2-carbonyl)piperidine-2-carboxylic acid (PubChem CID 110466478) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-(1H-imidazole-2-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1H-imidazole-2-carbonyl)piperidine-2-carboxylic acid
PubChem CID110466478
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name1-(1H-imidazole-2-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)c1ncc[nH]1
InChIInChI=1S/C10H13N3O3/c14-9(8-11-4-5-12-8)13-6-2-1-3-7(13)10(15)16/h4-5,7H,1-3,6H2,(H,11,12)(H,15,16)
InChIKeyZHKDNICFOUNIJN-UHFFFAOYSA-N
XLogP0.49
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(3-aminopyrazine-2-carbonyl)piperidine-2-carboxylic acid
CID 154745570
1-(1,3-oxazole-2-carbonyl)piperidine-2-carboxylic acid
CID 110835122
(2R)-1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-2-carboxylic acid
CID 79034625
1-(3-methylpyridine-2-carbonyl)piperidine-2-carboxylic acid
CID 62339102
1-(pyridine-2-carbonyl)azepane-2-carboxylic acid
CID 64559743
1-(3-methylpyridine-2-carbonyl)azepane-2-carboxylic acid
CID 64560694
(2S)-1-(2-chloropyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 97169127
1-(1H-pyrazole-4-carbonyl)piperidine-2-carboxylic acid
CID 43565596
1-(5-methylpyrazine-2-carbonyl)azepane-2-carboxylic acid
CID 64561466
(2R)-1-(quinoxaline-5-carbonyl)piperidine-2-carboxylic acid
CID 104614152
(2R)-1-(3-aminopyrazine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 119371307
(2S)-1-(1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid
CID 66263273

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazole-2-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(1H-imidazole-2-carbonyl)piperidine-2-carboxylic acid (CID 110466478) is 1-(1H-imidazole-2-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1H-imidazole-2-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(1H-imidazole-2-carbonyl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)c1ncc[nH]1.
What is the InChIKey of 1-(1H-imidazole-2-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is ZHKDNICFOUNIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-9(8-11-4-5-12-8)13-6-2-1-3-7(13)10(15)16/h4-5,7H,1-3,6H2,(H,11,12)(H,15,16).
What are the key properties of 1-(1H-imidazole-2-carbonyl)piperidine-2-carboxylic acid?
1-(1H-imidazole-2-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazole-2-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 110466478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).