2-[ethyl-[3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]cyclobutyl]amino]acetic acid

C16H22N6O2 — CID 122061973

IUPAC2-[ethyl-[3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(Nc2nnnn2-c2ccc(C)cc2)C1
InChIInChI=1S/C16H22N6O2/c1-3-21(10-15(23)24)14-8-12(9-14)17-16-18-19-20-22(16)13-6-4-11(2)5-7-13/h4-7,12,14H,3,8-10H2,1-2H3,(H,23,24)(H,17,18,20)
InChIKeyLMYDCGLLDJIQGF-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.32
Rot. Bonds7

About 2-[ethyl-[3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]cyclobutyl]amino]acetic acid

2-[ethyl-[3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]cyclobutyl]amino]acetic acid (PubChem CID 122061973) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[ethyl-[3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]cyclobutyl]amino]acetic acid
PubChem CID122061973
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name2-[ethyl-[3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(Nc2nnnn2-c2ccc(C)cc2)C1
InChIInChI=1S/C16H22N6O2/c1-3-21(10-15(23)24)14-8-12(9-14)17-16-18-19-20-22(16)13-6-4-11(2)5-7-13/h4-7,12,14H,3,8-10H2,1-2H3,(H,23,24)(H,17,18,20)
InChIKeyLMYDCGLLDJIQGF-UHFFFAOYSA-N
XLogP1.32
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[ethyl-[3-[2-(4-methylphenyl)ethylcarbamoylamino]cyclobutyl]amino]acetic acid
CID 122002549
2-[[3-[(3-chloro-2-pyridinyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122062041
2-[[3-[(3,8-dimethylquinolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061794
1-(4-methylphenyl)-N-(2-pentan-3-yloxan-4-yl)tetrazol-5-amine
CID 133461869
2-[[3-[(4-tert-butylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061674
2-[[3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122042197
2-[[3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061823
2-[ethyl-[3-[(4-oxo-3H-quinazolin-2-yl)amino]cyclobutyl]amino]acetic acid
CID 137061337
2-[[3-[(4-ethoxycarbonyl-3-nitro-2-pyridinyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122062067
N-(3-methoxycyclobutyl)-1-phenyltetrazol-5-amine
CID 113428720
2-[ethyl-[3-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclobutyl]amino]acetic acid
CID 122061711
2-[ethyl-[3-[(2-methylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073443

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]cyclobutyl]amino]acetic acid (CID 122061973) is 2-[ethyl-[3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(Nc2nnnn2-c2ccc(C)cc2)C1.
What is the InChIKey of 2-[ethyl-[3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]cyclobutyl]amino]acetic acid?
The InChIKey is LMYDCGLLDJIQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-3-21(10-15(23)24)14-8-12(9-14)17-16-18-19-20-22(16)13-6-4-11(2)5-7-13/h4-7,12,14H,3,8-10H2,1-2H3,(H,23,24)(H,17,18,20).
What are the key properties of 2-[ethyl-[3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]cyclobutyl]amino]acetic acid?
2-[ethyl-[3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]cyclobutyl]amino]acetic acid has a molecular weight of 330.39 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122061973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).