ethyl 2-[(2-methyltetrazol-5-yl)methylamino]acetate

C7H13N5O2 — CID 107042177

IUPACethyl 2-[(2-methyltetrazol-5-yl)methylamino]acetate
SMILESCCOC(=O)CNCc1nnn(C)n1
InChIInChI=1S/C7H13N5O2/c1-3-14-7(13)5-8-4-6-9-11-12(2)10-6/h8H,3-5H2,1-2H3
InChIKeyPJSVDLRHKLLUEH-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.14
Rot. Bonds5

About ethyl 2-[(2-methyltetrazol-5-yl)methylamino]acetate

ethyl 2-[(2-methyltetrazol-5-yl)methylamino]acetate (PubChem CID 107042177) has the molecular formula C7H13N5O2 and a molecular weight of 199.21 g/mol. Its IUPAC name is ethyl 2-[(2-methyltetrazol-5-yl)methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-methyltetrazol-5-yl)methylamino]acetate
PubChem CID107042177
Molecular FormulaC7H13N5O2
Molecular Weight199.21 g/mol
Exact Mass199.11
IUPAC Nameethyl 2-[(2-methyltetrazol-5-yl)methylamino]acetate
SMILESCCOC(=O)CNCc1nnn(C)n1
InChIInChI=1S/C7H13N5O2/c1-3-14-7(13)5-8-4-6-9-11-12(2)10-6/h8H,3-5H2,1-2H3
InChIKeyPJSVDLRHKLLUEH-UHFFFAOYSA-N
XLogP-1.14
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetate
CID 83088889
ethyl 2-[(3-propan-2-ylimidazol-4-yl)methylamino]acetate
CID 66132120
N-methyl-3-[(2-methyltetrazol-5-yl)methylamino]propanamide
CID 107042317
3-ethoxy-2-methyl-2-[(2-methyltetrazol-5-yl)methyl]-3-oxopropanoic acid
CID 107061624
ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)ethylamino]acetate
CID 129359467
ethyl 2-[(1-propylpyrrol-3-yl)methylamino]acetate
CID 66414373
2-ethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107042740
ethyl 2-[(5-methyl-1H-imidazol-4-yl)methylamino]acetate
CID 62742479
ethyl 2-[(3,5-dichlorophenyl)methylamino]acetate
CID 60811234
methyl 4-methyl-2-[(2-methyltetrazol-5-yl)methylamino]pentanoate
CID 107042301
3-methyl-N-[(2-methyltetrazol-5-yl)methyl]but-2-en-1-amine
CID 107166974
1-[2-[(2-ethoxy-2-oxoethyl)amino]ethyl]triazole-4-carboxylic acid
CID 103239565

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methyltetrazol-5-yl)methylamino]acetate?
The IUPAC name of ethyl 2-[(2-methyltetrazol-5-yl)methylamino]acetate (CID 107042177) is ethyl 2-[(2-methyltetrazol-5-yl)methylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-methyltetrazol-5-yl)methylamino]acetate?
The canonical SMILES for ethyl 2-[(2-methyltetrazol-5-yl)methylamino]acetate is CCOC(=O)CNCc1nnn(C)n1.
What is the InChIKey of ethyl 2-[(2-methyltetrazol-5-yl)methylamino]acetate?
The InChIKey is PJSVDLRHKLLUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2/c1-3-14-7(13)5-8-4-6-9-11-12(2)10-6/h8H,3-5H2,1-2H3.
What are the key properties of ethyl 2-[(2-methyltetrazol-5-yl)methylamino]acetate?
ethyl 2-[(2-methyltetrazol-5-yl)methylamino]acetate has a molecular weight of 199.21 g/mol, XLogP of -1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methyltetrazol-5-yl)methylamino]acetate is sourced from PubChem (CID 107042177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).