[(3R)-3-[5-(2-oxopropoxymethyl)tetrazol-2-yl]butyl] hydrogen carbonate

C10H16N4O5 — CID 172762774

IUPAC[(3R)-3-[5-(2-oxopropoxymethyl)tetrazol-2-yl]butyl] hydrogen carbonate
SMILESCC(=O)COCc1nnn([C@H](C)CCOC(=O)O)n1
InChIInChI=1S/C10H16N4O5/c1-7(3-4-19-10(16)17)14-12-9(11-13-14)6-18-5-8(2)15/h7H,3-6H2,1-2H3,(H,16,17)/t7-/m1/s1
InChIKeyLXJAHWWBULLMFL-SSDOTTSWSA-N
MW272.26 g/mol
LogP0.42
Rot. Bonds8

About [(3R)-3-[5-(2-oxopropoxymethyl)tetrazol-2-yl]butyl] hydrogen carbonate

[(3R)-3-[5-(2-oxopropoxymethyl)tetrazol-2-yl]butyl] hydrogen carbonate (PubChem CID 172762774) has the molecular formula C10H16N4O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is [(3R)-3-[5-(2-oxopropoxymethyl)tetrazol-2-yl]butyl] hydrogen carbonate.

Molecular Properties

Compound Name[(3R)-3-[5-(2-oxopropoxymethyl)tetrazol-2-yl]butyl] hydrogen carbonate
PubChem CID172762774
Molecular FormulaC10H16N4O5
Molecular Weight272.26 g/mol
Exact Mass272.11
IUPAC Name[(3R)-3-[5-(2-oxopropoxymethyl)tetrazol-2-yl]butyl] hydrogen carbonate
SMILESCC(=O)COCc1nnn([C@H](C)CCOC(=O)O)n1
InChIInChI=1S/C10H16N4O5/c1-7(3-4-19-10(16)17)14-12-9(11-13-14)6-18-5-8(2)15/h7H,3-6H2,1-2H3,(H,16,17)/t7-/m1/s1
InChIKeyLXJAHWWBULLMFL-SSDOTTSWSA-N
XLogP0.42
TPSA116.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[5-(2-oxopropoxymethyl)tetrazol-2-yl]butyl] hydrogen carbonate?
The IUPAC name of [(3R)-3-[5-(2-oxopropoxymethyl)tetrazol-2-yl]butyl] hydrogen carbonate (CID 172762774) is [(3R)-3-[5-(2-oxopropoxymethyl)tetrazol-2-yl]butyl] hydrogen carbonate.
What is the SMILES notation for [(3R)-3-[5-(2-oxopropoxymethyl)tetrazol-2-yl]butyl] hydrogen carbonate?
The canonical SMILES for [(3R)-3-[5-(2-oxopropoxymethyl)tetrazol-2-yl]butyl] hydrogen carbonate is CC(=O)COCc1nnn([C@H](C)CCOC(=O)O)n1.
What is the InChIKey of [(3R)-3-[5-(2-oxopropoxymethyl)tetrazol-2-yl]butyl] hydrogen carbonate?
The InChIKey is LXJAHWWBULLMFL-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H16N4O5/c1-7(3-4-19-10(16)17)14-12-9(11-13-14)6-18-5-8(2)15/h7H,3-6H2,1-2H3,(H,16,17)/t7-/m1/s1.
What are the key properties of [(3R)-3-[5-(2-oxopropoxymethyl)tetrazol-2-yl]butyl] hydrogen carbonate?
[(3R)-3-[5-(2-oxopropoxymethyl)tetrazol-2-yl]butyl] hydrogen carbonate has a molecular weight of 272.26 g/mol, XLogP of 0.42, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[5-(2-oxopropoxymethyl)tetrazol-2-yl]butyl] hydrogen carbonate is sourced from PubChem (CID 172762774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).