(2-methyltetrazol-5-yl)methyl 3-aminobenzoate

C10H11N5O2 — CID 107052103

IUPAC(2-methyltetrazol-5-yl)methyl 3-aminobenzoate
SMILESCn1nnc(COC(=O)c2cccc(N)c2)n1
InChIInChI=1S/C10H11N5O2/c1-15-13-9(12-14-15)6-17-10(16)7-3-2-4-8(11)5-7/h2-5H,6,11H2,1H3
InChIKeyUKVJLINBPPQWRY-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.15
Rot. Bonds3

About (2-methyltetrazol-5-yl)methyl 3-aminobenzoate

(2-methyltetrazol-5-yl)methyl 3-aminobenzoate (PubChem CID 107052103) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is (2-methyltetrazol-5-yl)methyl 3-aminobenzoate.

Molecular Properties

Compound Name(2-methyltetrazol-5-yl)methyl 3-aminobenzoate
PubChem CID107052103
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name(2-methyltetrazol-5-yl)methyl 3-aminobenzoate
SMILESCn1nnc(COC(=O)c2cccc(N)c2)n1
InChIInChI=1S/C10H11N5O2/c1-15-13-9(12-14-15)6-17-10(16)7-3-2-4-8(11)5-7/h2-5H,6,11H2,1H3
InChIKeyUKVJLINBPPQWRY-UHFFFAOYSA-N
XLogP0.15
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2-methyltetrazol-5-yl)methyl 2-amino-6-ethoxybenzoate
CID 107052196
benzyl 3-aminobenzoate;methanol
CID 142867139
(2,4,6-trimethylphenyl)methyl 3-aminobenzoate
CID 62548298
3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]aniline
CID 107040843
(1-butan-2-ylpyrazol-3-yl)methyl 3-aminobenzoate
CID 64777071
3-[(2-methyltetrazol-5-yl)methylsulfanyl]aniline
CID 107043504
2-amino-6-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
CID 107341596
2-methylpropyl 3-aminobenzoate
CID 15914844
pyridin-3-ylmethyl 3-aminobenzoate
CID 61321631
(3-bromophenyl)methyl 3-aminobenzoate
CID 60665536
1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanone
CID 107043044
prop-2-enyl 3-aminobenzoate;hydrochloride
CID 18930598

Frequently Asked Questions

What is the IUPAC name of (2-methyltetrazol-5-yl)methyl 3-aminobenzoate?
The IUPAC name of (2-methyltetrazol-5-yl)methyl 3-aminobenzoate (CID 107052103) is (2-methyltetrazol-5-yl)methyl 3-aminobenzoate.
What is the SMILES notation for (2-methyltetrazol-5-yl)methyl 3-aminobenzoate?
The canonical SMILES for (2-methyltetrazol-5-yl)methyl 3-aminobenzoate is Cn1nnc(COC(=O)c2cccc(N)c2)n1.
What is the InChIKey of (2-methyltetrazol-5-yl)methyl 3-aminobenzoate?
The InChIKey is UKVJLINBPPQWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-15-13-9(12-14-15)6-17-10(16)7-3-2-4-8(11)5-7/h2-5H,6,11H2,1H3.
What are the key properties of (2-methyltetrazol-5-yl)methyl 3-aminobenzoate?
(2-methyltetrazol-5-yl)methyl 3-aminobenzoate has a molecular weight of 233.23 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyltetrazol-5-yl)methyl 3-aminobenzoate is sourced from PubChem (CID 107052103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).