(2-methyltetrazol-5-yl)methyl 2-amino-6-ethoxybenzoate

C12H15N5O3 — CID 107052196

IUPAC(2-methyltetrazol-5-yl)methyl 2-amino-6-ethoxybenzoate
SMILESCCOc1cccc(N)c1C(=O)OCc1nnn(C)n1
InChIInChI=1S/C12H15N5O3/c1-3-19-9-6-4-5-8(13)11(9)12(18)20-7-10-14-16-17(2)15-10/h4-6H,3,7,13H2,1-2H3
InChIKeyGLFJVJDQSHZLNM-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.55
Rot. Bonds5

About (2-methyltetrazol-5-yl)methyl 2-amino-6-ethoxybenzoate

(2-methyltetrazol-5-yl)methyl 2-amino-6-ethoxybenzoate (PubChem CID 107052196) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is (2-methyltetrazol-5-yl)methyl 2-amino-6-ethoxybenzoate.

Molecular Properties

Compound Name(2-methyltetrazol-5-yl)methyl 2-amino-6-ethoxybenzoate
PubChem CID107052196
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name(2-methyltetrazol-5-yl)methyl 2-amino-6-ethoxybenzoate
SMILESCCOc1cccc(N)c1C(=O)OCc1nnn(C)n1
InChIInChI=1S/C12H15N5O3/c1-3-19-9-6-4-5-8(13)11(9)12(18)20-7-10-14-16-17(2)15-10/h4-6H,3,7,13H2,1-2H3
InChIKeyGLFJVJDQSHZLNM-UHFFFAOYSA-N
XLogP0.55
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
CID 107341596
(2-methyltetrazol-5-yl)methyl 3-aminobenzoate
CID 107052103
pyridin-3-ylmethyl 2-amino-6-ethoxybenzoate
CID 81413651
[2-(diethylamino)-2-oxoethyl] 2-amino-6-ethoxybenzoate
CID 81394370
(5-ethylthiophen-2-yl)methyl 2-amino-6-ethoxybenzoate
CID 81394527
1,3-thiazol-5-ylmethyl 2-amino-6-ethoxybenzoate
CID 112643764
(2-methyltetrazol-5-yl)methyl 3-amino-4-methoxybenzoate
CID 107052112
4-methylpentan-2-yl 2-amino-6-ethoxybenzoate
CID 81414693
3,3-dimethylbutyl 2-amino-6-ethoxybenzoate
CID 81414040
2-(2,2,2-trifluoroethoxy)ethyl 2-amino-6-ethoxybenzoate
CID 81396529
2-(2-amino-6-ethoxybenzoyl)oxypropanoic acid
CID 81413977
3-methylbutan-2-yl 2-amino-6-ethoxybenzoate
CID 81414285

Frequently Asked Questions

What is the IUPAC name of (2-methyltetrazol-5-yl)methyl 2-amino-6-ethoxybenzoate?
The IUPAC name of (2-methyltetrazol-5-yl)methyl 2-amino-6-ethoxybenzoate (CID 107052196) is (2-methyltetrazol-5-yl)methyl 2-amino-6-ethoxybenzoate.
What is the SMILES notation for (2-methyltetrazol-5-yl)methyl 2-amino-6-ethoxybenzoate?
The canonical SMILES for (2-methyltetrazol-5-yl)methyl 2-amino-6-ethoxybenzoate is CCOc1cccc(N)c1C(=O)OCc1nnn(C)n1.
What is the InChIKey of (2-methyltetrazol-5-yl)methyl 2-amino-6-ethoxybenzoate?
The InChIKey is GLFJVJDQSHZLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-3-19-9-6-4-5-8(13)11(9)12(18)20-7-10-14-16-17(2)15-10/h4-6H,3,7,13H2,1-2H3.
What are the key properties of (2-methyltetrazol-5-yl)methyl 2-amino-6-ethoxybenzoate?
(2-methyltetrazol-5-yl)methyl 2-amino-6-ethoxybenzoate has a molecular weight of 277.28 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyltetrazol-5-yl)methyl 2-amino-6-ethoxybenzoate is sourced from PubChem (CID 107052196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).