4-[methyl-(1-methyltetrazol-5-yl)amino]butanoic acid

C7H13N5O2 — CID 63151938

IUPAC4-[methyl-(1-methyltetrazol-5-yl)amino]butanoic acid
SMILESCN(CCCC(=O)O)c1nnnn1C
InChIInChI=1S/C7H13N5O2/c1-11(5-3-4-6(13)14)7-8-9-10-12(7)2/h3-5H2,1-2H3,(H,13,14)
InChIKeyZVOXOTFGOBTJAA-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.49
Rot. Bonds5

About 4-[methyl-(1-methyltetrazol-5-yl)amino]butanoic acid

4-[methyl-(1-methyltetrazol-5-yl)amino]butanoic acid (PubChem CID 63151938) has the molecular formula C7H13N5O2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 4-[methyl-(1-methyltetrazol-5-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-(1-methyltetrazol-5-yl)amino]butanoic acid
PubChem CID63151938
Molecular FormulaC7H13N5O2
Molecular Weight199.21 g/mol
Exact Mass199.11
IUPAC Name4-[methyl-(1-methyltetrazol-5-yl)amino]butanoic acid
SMILESCN(CCCC(=O)O)c1nnnn1C
InChIInChI=1S/C7H13N5O2/c1-11(5-3-4-6(13)14)7-8-9-10-12(7)2/h3-5H2,1-2H3,(H,13,14)
InChIKeyZVOXOTFGOBTJAA-UHFFFAOYSA-N
XLogP-0.49
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(1-methyltetrazol-5-yl)amino]butanoic acid?
The IUPAC name of 4-[methyl-(1-methyltetrazol-5-yl)amino]butanoic acid (CID 63151938) is 4-[methyl-(1-methyltetrazol-5-yl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl-(1-methyltetrazol-5-yl)amino]butanoic acid?
The canonical SMILES for 4-[methyl-(1-methyltetrazol-5-yl)amino]butanoic acid is CN(CCCC(=O)O)c1nnnn1C.
What is the InChIKey of 4-[methyl-(1-methyltetrazol-5-yl)amino]butanoic acid?
The InChIKey is ZVOXOTFGOBTJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2/c1-11(5-3-4-6(13)14)7-8-9-10-12(7)2/h3-5H2,1-2H3,(H,13,14).
What are the key properties of 4-[methyl-(1-methyltetrazol-5-yl)amino]butanoic acid?
4-[methyl-(1-methyltetrazol-5-yl)amino]butanoic acid has a molecular weight of 199.21 g/mol, XLogP of -0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(1-methyltetrazol-5-yl)amino]butanoic acid is sourced from PubChem (CID 63151938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).