ethyl 1-[2-(2-methoxyethylamino)-2-oxoethyl]tetrazole-5-carboxylate

C9H15N5O4 — CID 79318406

IUPACethyl 1-[2-(2-methoxyethylamino)-2-oxoethyl]tetrazole-5-carboxylate
SMILESCCOC(=O)c1nnnn1CC(=O)NCCOC
InChIInChI=1S/C9H15N5O4/c1-3-18-9(16)8-11-12-13-14(8)6-7(15)10-4-5-17-2/h3-6H2,1-2H3,(H,10,15)
InChIKeyVNBHNOIQAGRKII-UHFFFAOYSA-N
MW257.25 g/mol
LogP-1.39
Rot. Bonds7

About ethyl 1-[2-(2-methoxyethylamino)-2-oxoethyl]tetrazole-5-carboxylate

ethyl 1-[2-(2-methoxyethylamino)-2-oxoethyl]tetrazole-5-carboxylate (PubChem CID 79318406) has the molecular formula C9H15N5O4 and a molecular weight of 257.25 g/mol. Its IUPAC name is ethyl 1-[2-(2-methoxyethylamino)-2-oxoethyl]tetrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2-methoxyethylamino)-2-oxoethyl]tetrazole-5-carboxylate
PubChem CID79318406
Molecular FormulaC9H15N5O4
Molecular Weight257.25 g/mol
Exact Mass257.11
IUPAC Nameethyl 1-[2-(2-methoxyethylamino)-2-oxoethyl]tetrazole-5-carboxylate
SMILESCCOC(=O)c1nnnn1CC(=O)NCCOC
InChIInChI=1S/C9H15N5O4/c1-3-18-9(16)8-11-12-13-14(8)6-7(15)10-4-5-17-2/h3-6H2,1-2H3,(H,10,15)
InChIKeyVNBHNOIQAGRKII-UHFFFAOYSA-N
XLogP-1.39
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 5-1.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-[2-oxo-2-(pentan-2-ylamino)ethyl]tetrazole-5-carboxylate
CID 79317843
ethyl 1-[3-(carbamoylamino)-3-oxopropyl]tetrazole-5-carboxylate
CID 79317376
ethyl 1-[2-(2-iodoanilino)-2-oxoethyl]tetrazole-5-carboxylate
CID 79309343
5-ethyl-1-[2-(2-methoxyethylamino)-2-oxoethyl]triazole-4-carboxylic acid
CID 62059798
ethyl 1-(2-fluoroethyl)tetrazole-5-carboxylate
CID 80696635
2-methoxyethyl 1-[2-(butylamino)-2-oxoethyl]-5-methyltriazole-4-carboxylate
CID 103111827
N-methoxy-2-(5-methyltetrazol-1-yl)acetamide
CID 127012088
ethyl 1-(3,3-dimethylbutyl)tetrazole-5-carboxylate
CID 79317604
ethyl 1-(3-methylbutyl)tetrazole-5-carboxylate
CID 79318083
ethyl 1-(3-hydroxy-3-methylbutyl)tetrazole-5-carboxylate
CID 79355947
ethyl 1-(3-ethylsulfonylpropyl)tetrazole-5-carboxylate
CID 79318403
2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(2-methoxyethyl)acetamide
CID 3188672

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2-methoxyethylamino)-2-oxoethyl]tetrazole-5-carboxylate?
The IUPAC name of ethyl 1-[2-(2-methoxyethylamino)-2-oxoethyl]tetrazole-5-carboxylate (CID 79318406) is ethyl 1-[2-(2-methoxyethylamino)-2-oxoethyl]tetrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2-methoxyethylamino)-2-oxoethyl]tetrazole-5-carboxylate?
The canonical SMILES for ethyl 1-[2-(2-methoxyethylamino)-2-oxoethyl]tetrazole-5-carboxylate is CCOC(=O)c1nnnn1CC(=O)NCCOC.
What is the InChIKey of ethyl 1-[2-(2-methoxyethylamino)-2-oxoethyl]tetrazole-5-carboxylate?
The InChIKey is VNBHNOIQAGRKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O4/c1-3-18-9(16)8-11-12-13-14(8)6-7(15)10-4-5-17-2/h3-6H2,1-2H3,(H,10,15).
What are the key properties of ethyl 1-[2-(2-methoxyethylamino)-2-oxoethyl]tetrazole-5-carboxylate?
ethyl 1-[2-(2-methoxyethylamino)-2-oxoethyl]tetrazole-5-carboxylate has a molecular weight of 257.25 g/mol, XLogP of -1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2-methoxyethylamino)-2-oxoethyl]tetrazole-5-carboxylate is sourced from PubChem (CID 79318406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).