4-(4-carboxypyrazol-1-yl)piperidine-1-carboxylic acid

C10H13N3O4 — CID 135349042

IUPAC4-(4-carboxypyrazol-1-yl)piperidine-1-carboxylic acid
SMILESO=C(O)c1cnn(C2CCN(C(=O)O)CC2)c1
InChIInChI=1S/C10H13N3O4/c14-9(15)7-5-11-13(6-7)8-1-3-12(4-2-8)10(16)17/h5-6,8H,1-4H2,(H,14,15)(H,16,17)
InChIKeyNRQXPIHYFBMBAB-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.90
Rot. Bonds2

About 4-(4-carboxypyrazol-1-yl)piperidine-1-carboxylic acid

4-(4-carboxypyrazol-1-yl)piperidine-1-carboxylic acid (PubChem CID 135349042) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 4-(4-carboxypyrazol-1-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-carboxypyrazol-1-yl)piperidine-1-carboxylic acid
PubChem CID135349042
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name4-(4-carboxypyrazol-1-yl)piperidine-1-carboxylic acid
SMILESO=C(O)c1cnn(C2CCN(C(=O)O)CC2)c1
InChIInChI=1S/C10H13N3O4/c14-9(15)7-5-11-13(6-7)8-1-3-12(4-2-8)10(16)17/h5-6,8H,1-4H2,(H,14,15)(H,16,17)
InChIKeyNRQXPIHYFBMBAB-UHFFFAOYSA-N
XLogP0.90
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-carboxypyrazol-1-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(4-carboxypyrazol-1-yl)piperidine-1-carboxylic acid (CID 135349042) is 4-(4-carboxypyrazol-1-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-carboxypyrazol-1-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-carboxypyrazol-1-yl)piperidine-1-carboxylic acid is O=C(O)c1cnn(C2CCN(C(=O)O)CC2)c1.
What is the InChIKey of 4-(4-carboxypyrazol-1-yl)piperidine-1-carboxylic acid?
The InChIKey is NRQXPIHYFBMBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c14-9(15)7-5-11-13(6-7)8-1-3-12(4-2-8)10(16)17/h5-6,8H,1-4H2,(H,14,15)(H,16,17).
What are the key properties of 4-(4-carboxypyrazol-1-yl)piperidine-1-carboxylic acid?
4-(4-carboxypyrazol-1-yl)piperidine-1-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carboxypyrazol-1-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 135349042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).