ethyl 2-amino-5-methoxy-4-[2-(tetrazol-2-yl)ethoxy]benzoate

C13H17N5O4 — CID 11748809

IUPACethyl 2-amino-5-methoxy-4-[2-(tetrazol-2-yl)ethoxy]benzoate
SMILESCCOC(=O)c1cc(OC)c(OCCn2ncnn2)cc1N
InChIInChI=1S/C13H17N5O4/c1-3-21-13(19)9-6-11(20-2)12(7-10(9)14)22-5-4-18-16-8-15-17-18/h6-8H,3-5,14H2,1-2H3
InChIKeyMNISAWGRIMSAQW-UHFFFAOYSA-N
MW307.31 g/mol
LogP0.52
Rot. Bonds7

About ethyl 2-amino-5-methoxy-4-[2-(tetrazol-2-yl)ethoxy]benzoate

ethyl 2-amino-5-methoxy-4-[2-(tetrazol-2-yl)ethoxy]benzoate (PubChem CID 11748809) has the molecular formula C13H17N5O4 and a molecular weight of 307.31 g/mol. Its IUPAC name is ethyl 2-amino-5-methoxy-4-[2-(tetrazol-2-yl)ethoxy]benzoate.

Molecular Properties

Compound Nameethyl 2-amino-5-methoxy-4-[2-(tetrazol-2-yl)ethoxy]benzoate
PubChem CID11748809
Molecular FormulaC13H17N5O4
Molecular Weight307.31 g/mol
Exact Mass307.13
IUPAC Nameethyl 2-amino-5-methoxy-4-[2-(tetrazol-2-yl)ethoxy]benzoate
SMILESCCOC(=O)c1cc(OC)c(OCCn2ncnn2)cc1N
InChIInChI=1S/C13H17N5O4/c1-3-21-13(19)9-6-11(20-2)12(7-10(9)14)22-5-4-18-16-8-15-17-18/h6-8H,3-5,14H2,1-2H3
InChIKeyMNISAWGRIMSAQW-UHFFFAOYSA-N
XLogP0.52
TPSA114.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-amino-4-(3-chloropropoxy)-5-methoxybenzoate
CID 23033019
ethane;ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate
CID 143274795
ethyl 2-amino-4-(2-methoxyethoxy)-5-(2-morpholin-4-ylethoxy)benzoate
CID 11079114
methyl 2-amino-5-methoxy-4-(2-methoxyethoxy)benzoate
CID 66876535
2-amino-5-[3-(dimethylamino)-3-oxopropoxy]-4-methoxybenzoic acid
CID 60961608
2-amino-4-methoxy-5-pentoxybenzoic acid
CID 43380063
1-[2-amino-5-methoxy-4-(2-methoxyethoxy)phenyl]ethanone
CID 10823895
ethyl 2-fluoro-4,5-dimethoxybenzoate
CID 163198249
diethyl 2,5-dibutoxybenzene-1,4-dicarboxylate
CID 639937
2-amino-5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)benzoic acid
CID 130345860
prop-2-enyl 2-amino-4,5-dimethoxybenzoate
CID 19432548
1-(2-amino-4,5-dimethoxyphenyl)propan-1-one
CID 7148511

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-methoxy-4-[2-(tetrazol-2-yl)ethoxy]benzoate?
The IUPAC name of ethyl 2-amino-5-methoxy-4-[2-(tetrazol-2-yl)ethoxy]benzoate (CID 11748809) is ethyl 2-amino-5-methoxy-4-[2-(tetrazol-2-yl)ethoxy]benzoate.
What is the SMILES notation for ethyl 2-amino-5-methoxy-4-[2-(tetrazol-2-yl)ethoxy]benzoate?
The canonical SMILES for ethyl 2-amino-5-methoxy-4-[2-(tetrazol-2-yl)ethoxy]benzoate is CCOC(=O)c1cc(OC)c(OCCn2ncnn2)cc1N.
What is the InChIKey of ethyl 2-amino-5-methoxy-4-[2-(tetrazol-2-yl)ethoxy]benzoate?
The InChIKey is MNISAWGRIMSAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O4/c1-3-21-13(19)9-6-11(20-2)12(7-10(9)14)22-5-4-18-16-8-15-17-18/h6-8H,3-5,14H2,1-2H3.
What are the key properties of ethyl 2-amino-5-methoxy-4-[2-(tetrazol-2-yl)ethoxy]benzoate?
ethyl 2-amino-5-methoxy-4-[2-(tetrazol-2-yl)ethoxy]benzoate has a molecular weight of 307.31 g/mol, XLogP of 0.52, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-methoxy-4-[2-(tetrazol-2-yl)ethoxy]benzoate is sourced from PubChem (CID 11748809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).