4-ethoxycarbonyl-2-(2-methyltetrazol-5-yl)piperidine-1-carboxylic acid

C11H17N5O4 — CID 66734863

IUPAC4-ethoxycarbonyl-2-(2-methyltetrazol-5-yl)piperidine-1-carboxylic acid
SMILESCCOC(=O)C1CCN(C(=O)O)C(c2nnn(C)n2)C1
InChIInChI=1S/C11H17N5O4/c1-3-20-10(17)7-4-5-16(11(18)19)8(6-7)9-12-14-15(2)13-9/h7-8H,3-6H2,1-2H3,(H,18,19)
InChIKeyGUXMDSLYNTVDJY-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.20
Rot. Bonds3

About 4-ethoxycarbonyl-2-(2-methyltetrazol-5-yl)piperidine-1-carboxylic acid

4-ethoxycarbonyl-2-(2-methyltetrazol-5-yl)piperidine-1-carboxylic acid (PubChem CID 66734863) has the molecular formula C11H17N5O4 and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-ethoxycarbonyl-2-(2-methyltetrazol-5-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-ethoxycarbonyl-2-(2-methyltetrazol-5-yl)piperidine-1-carboxylic acid
PubChem CID66734863
Molecular FormulaC11H17N5O4
Molecular Weight283.29 g/mol
Exact Mass283.13
IUPAC Name4-ethoxycarbonyl-2-(2-methyltetrazol-5-yl)piperidine-1-carboxylic acid
SMILESCCOC(=O)C1CCN(C(=O)O)C(c2nnn(C)n2)C1
InChIInChI=1S/C11H17N5O4/c1-3-20-10(17)7-4-5-16(11(18)19)8(6-7)9-12-14-15(2)13-9/h7-8H,3-6H2,1-2H3,(H,18,19)
InChIKeyGUXMDSLYNTVDJY-UHFFFAOYSA-N
XLogP0.20
TPSA110.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxycarbonyl-2-(2-methyltetrazol-5-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-ethoxycarbonyl-2-(2-methyltetrazol-5-yl)piperidine-1-carboxylic acid (CID 66734863) is 4-ethoxycarbonyl-2-(2-methyltetrazol-5-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-ethoxycarbonyl-2-(2-methyltetrazol-5-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-ethoxycarbonyl-2-(2-methyltetrazol-5-yl)piperidine-1-carboxylic acid is CCOC(=O)C1CCN(C(=O)O)C(c2nnn(C)n2)C1.
What is the InChIKey of 4-ethoxycarbonyl-2-(2-methyltetrazol-5-yl)piperidine-1-carboxylic acid?
The InChIKey is GUXMDSLYNTVDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O4/c1-3-20-10(17)7-4-5-16(11(18)19)8(6-7)9-12-14-15(2)13-9/h7-8H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 4-ethoxycarbonyl-2-(2-methyltetrazol-5-yl)piperidine-1-carboxylic acid?
4-ethoxycarbonyl-2-(2-methyltetrazol-5-yl)piperidine-1-carboxylic acid has a molecular weight of 283.29 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxycarbonyl-2-(2-methyltetrazol-5-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 66734863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).