1-[(2-methyltetrazol-5-yl)methylamino]cyclobutane-1-carboxylic acid

C8H13N5O2 — CID 107045024

IUPAC1-[(2-methyltetrazol-5-yl)methylamino]cyclobutane-1-carboxylic acid
SMILESCn1nnc(CNC2(C(=O)O)CCC2)n1
InChIInChI=1S/C8H13N5O2/c1-13-11-6(10-12-13)5-9-8(7(14)15)3-2-4-8/h9H,2-5H2,1H3,(H,14,15)
InChIKeyUMGGZKIKIVAIQH-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.69
Rot. Bonds4

About 1-[(2-methyltetrazol-5-yl)methylamino]cyclobutane-1-carboxylic acid

1-[(2-methyltetrazol-5-yl)methylamino]cyclobutane-1-carboxylic acid (PubChem CID 107045024) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-[(2-methyltetrazol-5-yl)methylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methyltetrazol-5-yl)methylamino]cyclobutane-1-carboxylic acid
PubChem CID107045024
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name1-[(2-methyltetrazol-5-yl)methylamino]cyclobutane-1-carboxylic acid
SMILESCn1nnc(CNC2(C(=O)O)CCC2)n1
InChIInChI=1S/C8H13N5O2/c1-13-11-6(10-12-13)5-9-8(7(14)15)3-2-4-8/h9H,2-5H2,1H3,(H,14,15)
InChIKeyUMGGZKIKIVAIQH-UHFFFAOYSA-N
XLogP-0.69
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyltetrazol-5-yl)methylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(2-methyltetrazol-5-yl)methylamino]cyclobutane-1-carboxylic acid (CID 107045024) is 1-[(2-methyltetrazol-5-yl)methylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-methyltetrazol-5-yl)methylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(2-methyltetrazol-5-yl)methylamino]cyclobutane-1-carboxylic acid is Cn1nnc(CNC2(C(=O)O)CCC2)n1.
What is the InChIKey of 1-[(2-methyltetrazol-5-yl)methylamino]cyclobutane-1-carboxylic acid?
The InChIKey is UMGGZKIKIVAIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-13-11-6(10-12-13)5-9-8(7(14)15)3-2-4-8/h9H,2-5H2,1H3,(H,14,15).
What are the key properties of 1-[(2-methyltetrazol-5-yl)methylamino]cyclobutane-1-carboxylic acid?
1-[(2-methyltetrazol-5-yl)methylamino]cyclobutane-1-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of -0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyltetrazol-5-yl)methylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 107045024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).