(2-methyltetrazol-5-yl)methyl 3-amino-4-methoxybenzoate

C11H13N5O3 — CID 107052112

IUPAC(2-methyltetrazol-5-yl)methyl 3-amino-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2nnn(C)n2)cc1N
InChIInChI=1S/C11H13N5O3/c1-16-14-10(13-15-16)6-19-11(17)7-3-4-9(18-2)8(12)5-7/h3-5H,6,12H2,1-2H3
InChIKeyHIXVNPHATQRSEW-UHFFFAOYSA-N
MW263.26 g/mol
LogP0.16
Rot. Bonds4

About (2-methyltetrazol-5-yl)methyl 3-amino-4-methoxybenzoate

(2-methyltetrazol-5-yl)methyl 3-amino-4-methoxybenzoate (PubChem CID 107052112) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is (2-methyltetrazol-5-yl)methyl 3-amino-4-methoxybenzoate.

Molecular Properties

Compound Name(2-methyltetrazol-5-yl)methyl 3-amino-4-methoxybenzoate
PubChem CID107052112
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name(2-methyltetrazol-5-yl)methyl 3-amino-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2nnn(C)n2)cc1N
InChIInChI=1S/C11H13N5O3/c1-16-14-10(13-15-16)6-19-11(17)7-3-4-9(18-2)8(12)5-7/h3-5H,6,12H2,1-2H3
InChIKeyHIXVNPHATQRSEW-UHFFFAOYSA-N
XLogP0.16
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.16
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-methyltetrazol-5-yl)methyl 3-aminobenzoate
CID 107052103
4-methoxy-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
CID 107040973
4-amino-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
CID 107044786
[(Z)-1-aminoethylideneamino] 3-amino-4-methoxybenzoate
CID 127243813
(2-methyltetrazol-5-yl)methyl 2-amino-6-ethoxybenzoate
CID 107052196
2-propan-2-yloxyethyl 3-amino-4-methoxybenzoate
CID 61308324
(2,4-difluorophenyl)methyl 3-amino-4-methoxybenzoate
CID 62197080
(5-fluoro-2-methylphenyl)methyl 3-amino-4-methoxybenzoate
CID 105374614
3-fluoropropyl 3-amino-4-methoxybenzoate
CID 81113544
hexyl 3-amino-4-methoxybenzoate
CID 61310261
3-(3-amino-4-methoxybenzoyl)oxy-2,2-dimethylpropanoic acid
CID 79619680
2-morpholin-4-ylethyl 3-amino-4-methoxybenzoate
CID 61321668

Frequently Asked Questions

What is the IUPAC name of (2-methyltetrazol-5-yl)methyl 3-amino-4-methoxybenzoate?
The IUPAC name of (2-methyltetrazol-5-yl)methyl 3-amino-4-methoxybenzoate (CID 107052112) is (2-methyltetrazol-5-yl)methyl 3-amino-4-methoxybenzoate.
What is the SMILES notation for (2-methyltetrazol-5-yl)methyl 3-amino-4-methoxybenzoate?
The canonical SMILES for (2-methyltetrazol-5-yl)methyl 3-amino-4-methoxybenzoate is COc1ccc(C(=O)OCc2nnn(C)n2)cc1N.
What is the InChIKey of (2-methyltetrazol-5-yl)methyl 3-amino-4-methoxybenzoate?
The InChIKey is HIXVNPHATQRSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-16-14-10(13-15-16)6-19-11(17)7-3-4-9(18-2)8(12)5-7/h3-5H,6,12H2,1-2H3.
What are the key properties of (2-methyltetrazol-5-yl)methyl 3-amino-4-methoxybenzoate?
(2-methyltetrazol-5-yl)methyl 3-amino-4-methoxybenzoate has a molecular weight of 263.26 g/mol, XLogP of 0.16, 4 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 3-amino-4-methoxybenzoate is sourced from PubChem (CID 107052112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).