4-[methyl(2H-tetrazol-5-ylmethylcarbamoyl)amino]butanoic acid

C8H14N6O3 — CID 55133431

IUPAC4-[methyl(2H-tetrazol-5-ylmethylcarbamoyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)NCc1nn[nH]n1
InChIInChI=1S/C8H14N6O3/c1-14(4-2-3-7(15)16)8(17)9-5-6-10-12-13-11-6/h2-5H2,1H3,(H,9,17)(H,15,16)(H,10,11,12,13)
InChIKeyHNGFUHZBAYWCER-UHFFFAOYSA-N
MW242.24 g/mol
LogP-0.79
Rot. Bonds6

About 4-[methyl(2H-tetrazol-5-ylmethylcarbamoyl)amino]butanoic acid

4-[methyl(2H-tetrazol-5-ylmethylcarbamoyl)amino]butanoic acid (PubChem CID 55133431) has the molecular formula C8H14N6O3 and a molecular weight of 242.24 g/mol. Its IUPAC name is 4-[methyl(2H-tetrazol-5-ylmethylcarbamoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl(2H-tetrazol-5-ylmethylcarbamoyl)amino]butanoic acid
PubChem CID55133431
Molecular FormulaC8H14N6O3
Molecular Weight242.24 g/mol
Exact Mass242.11
IUPAC Name4-[methyl(2H-tetrazol-5-ylmethylcarbamoyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)NCc1nn[nH]n1
InChIInChI=1S/C8H14N6O3/c1-14(4-2-3-7(15)16)8(17)9-5-6-10-12-13-11-6/h2-5H2,1H3,(H,9,17)(H,15,16)(H,10,11,12,13)
InChIKeyHNGFUHZBAYWCER-UHFFFAOYSA-N
XLogP-0.79
TPSA124.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2H-tetrazol-5-ylmethylcarbamoyl)amino]butanoic acid?
The IUPAC name of 4-[methyl(2H-tetrazol-5-ylmethylcarbamoyl)amino]butanoic acid (CID 55133431) is 4-[methyl(2H-tetrazol-5-ylmethylcarbamoyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl(2H-tetrazol-5-ylmethylcarbamoyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl(2H-tetrazol-5-ylmethylcarbamoyl)amino]butanoic acid is CN(CCCC(=O)O)C(=O)NCc1nn[nH]n1.
What is the InChIKey of 4-[methyl(2H-tetrazol-5-ylmethylcarbamoyl)amino]butanoic acid?
The InChIKey is HNGFUHZBAYWCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O3/c1-14(4-2-3-7(15)16)8(17)9-5-6-10-12-13-11-6/h2-5H2,1H3,(H,9,17)(H,15,16)(H,10,11,12,13).
What are the key properties of 4-[methyl(2H-tetrazol-5-ylmethylcarbamoyl)amino]butanoic acid?
4-[methyl(2H-tetrazol-5-ylmethylcarbamoyl)amino]butanoic acid has a molecular weight of 242.24 g/mol, XLogP of -0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2H-tetrazol-5-ylmethylcarbamoyl)amino]butanoic acid is sourced from PubChem (CID 55133431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).