2-[1-(1-ethoxycarbonylpiperidin-4-yl)tetrazol-5-yl]sulfanylacetic acid

C11H17N5O4S — CID 29070626

IUPAC2-[1-(1-ethoxycarbonylpiperidin-4-yl)tetrazol-5-yl]sulfanylacetic acid
SMILESCCOC(=O)N1CCC(n2nnnc2SCC(=O)O)CC1
InChIInChI=1S/C11H17N5O4S/c1-2-20-11(19)15-5-3-8(4-6-15)16-10(12-13-14-16)21-7-9(17)18/h8H,2-7H2,1H3,(H,17,18)
InChIKeyGFAMKYNVVFSLOW-UHFFFAOYSA-N
MW315.36 g/mol
LogP0.64
Rot. Bonds5

About 2-[1-(1-ethoxycarbonylpiperidin-4-yl)tetrazol-5-yl]sulfanylacetic acid

2-[1-(1-ethoxycarbonylpiperidin-4-yl)tetrazol-5-yl]sulfanylacetic acid (PubChem CID 29070626) has the molecular formula C11H17N5O4S and a molecular weight of 315.36 g/mol. Its IUPAC name is 2-[1-(1-ethoxycarbonylpiperidin-4-yl)tetrazol-5-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-(1-ethoxycarbonylpiperidin-4-yl)tetrazol-5-yl]sulfanylacetic acid
PubChem CID29070626
Molecular FormulaC11H17N5O4S
Molecular Weight315.36 g/mol
Exact Mass315.10
IUPAC Name2-[1-(1-ethoxycarbonylpiperidin-4-yl)tetrazol-5-yl]sulfanylacetic acid
SMILESCCOC(=O)N1CCC(n2nnnc2SCC(=O)O)CC1
InChIInChI=1S/C11H17N5O4S/c1-2-20-11(19)15-5-3-8(4-6-15)16-10(12-13-14-16)21-7-9(17)18/h8H,2-7H2,1H3,(H,17,18)
InChIKeyGFAMKYNVVFSLOW-UHFFFAOYSA-N
XLogP0.64
TPSA110.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-ethoxycarbonylpiperidin-4-yl)tetrazol-5-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-(1-ethoxycarbonylpiperidin-4-yl)tetrazol-5-yl]sulfanylacetic acid (CID 29070626) is 2-[1-(1-ethoxycarbonylpiperidin-4-yl)tetrazol-5-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-(1-ethoxycarbonylpiperidin-4-yl)tetrazol-5-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-(1-ethoxycarbonylpiperidin-4-yl)tetrazol-5-yl]sulfanylacetic acid is CCOC(=O)N1CCC(n2nnnc2SCC(=O)O)CC1.
What is the InChIKey of 2-[1-(1-ethoxycarbonylpiperidin-4-yl)tetrazol-5-yl]sulfanylacetic acid?
The InChIKey is GFAMKYNVVFSLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O4S/c1-2-20-11(19)15-5-3-8(4-6-15)16-10(12-13-14-16)21-7-9(17)18/h8H,2-7H2,1H3,(H,17,18).
What are the key properties of 2-[1-(1-ethoxycarbonylpiperidin-4-yl)tetrazol-5-yl]sulfanylacetic acid?
2-[1-(1-ethoxycarbonylpiperidin-4-yl)tetrazol-5-yl]sulfanylacetic acid has a molecular weight of 315.36 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-ethoxycarbonylpiperidin-4-yl)tetrazol-5-yl]sulfanylacetic acid is sourced from PubChem (CID 29070626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).