3-[(2-methyltetrazol-5-yl)methyl]bicyclo[3.1.0]hexane-3-carboxylic acid

C10H14N4O2 — CID 107045169

IUPAC3-[(2-methyltetrazol-5-yl)methyl]bicyclo[3.1.0]hexane-3-carboxylic acid
SMILESCn1nnc(CC2(C(=O)O)CC3CC3C2)n1
InChIInChI=1S/C10H14N4O2/c1-14-12-8(11-13-14)5-10(9(15)16)3-6-2-7(6)4-10/h6-7H,2-5H2,1H3,(H,15,16)
InChIKeyCGJWGZWBSPYHGH-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.25
Rot. Bonds3

About 3-[(2-methyltetrazol-5-yl)methyl]bicyclo[3.1.0]hexane-3-carboxylic acid

3-[(2-methyltetrazol-5-yl)methyl]bicyclo[3.1.0]hexane-3-carboxylic acid (PubChem CID 107045169) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-[(2-methyltetrazol-5-yl)methyl]bicyclo[3.1.0]hexane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methyltetrazol-5-yl)methyl]bicyclo[3.1.0]hexane-3-carboxylic acid
PubChem CID107045169
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name3-[(2-methyltetrazol-5-yl)methyl]bicyclo[3.1.0]hexane-3-carboxylic acid
SMILESCn1nnc(CC2(C(=O)O)CC3CC3C2)n1
InChIInChI=1S/C10H14N4O2/c1-14-12-8(11-13-14)5-10(9(15)16)3-6-2-7(6)4-10/h6-7H,2-5H2,1H3,(H,15,16)
InChIKeyCGJWGZWBSPYHGH-UHFFFAOYSA-N
XLogP0.25
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyltetrazol-5-yl)methyl]bicyclo[3.1.0]hexane-3-carboxylic acid?
The IUPAC name of 3-[(2-methyltetrazol-5-yl)methyl]bicyclo[3.1.0]hexane-3-carboxylic acid (CID 107045169) is 3-[(2-methyltetrazol-5-yl)methyl]bicyclo[3.1.0]hexane-3-carboxylic acid.
What is the SMILES notation for 3-[(2-methyltetrazol-5-yl)methyl]bicyclo[3.1.0]hexane-3-carboxylic acid?
The canonical SMILES for 3-[(2-methyltetrazol-5-yl)methyl]bicyclo[3.1.0]hexane-3-carboxylic acid is Cn1nnc(CC2(C(=O)O)CC3CC3C2)n1.
What is the InChIKey of 3-[(2-methyltetrazol-5-yl)methyl]bicyclo[3.1.0]hexane-3-carboxylic acid?
The InChIKey is CGJWGZWBSPYHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-14-12-8(11-13-14)5-10(9(15)16)3-6-2-7(6)4-10/h6-7H,2-5H2,1H3,(H,15,16).
What are the key properties of 3-[(2-methyltetrazol-5-yl)methyl]bicyclo[3.1.0]hexane-3-carboxylic acid?
3-[(2-methyltetrazol-5-yl)methyl]bicyclo[3.1.0]hexane-3-carboxylic acid has a molecular weight of 222.25 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyltetrazol-5-yl)methyl]bicyclo[3.1.0]hexane-3-carboxylic acid is sourced from PubChem (CID 107045169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).