ethyl 1-[2-oxo-2-(pentan-2-ylamino)ethyl]tetrazole-5-carboxylate

C11H19N5O3 — CID 79317843

IUPACethyl 1-[2-oxo-2-(pentan-2-ylamino)ethyl]tetrazole-5-carboxylate
SMILESCCCC(C)NC(=O)Cn1nnnc1C(=O)OCC
InChIInChI=1S/C11H19N5O3/c1-4-6-8(3)12-9(17)7-16-10(13-14-15-16)11(18)19-5-2/h8H,4-7H2,1-3H3,(H,12,17)
InChIKeyCIGHHTZHNJSCSU-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.15
Rot. Bonds7

About ethyl 1-[2-oxo-2-(pentan-2-ylamino)ethyl]tetrazole-5-carboxylate

ethyl 1-[2-oxo-2-(pentan-2-ylamino)ethyl]tetrazole-5-carboxylate (PubChem CID 79317843) has the molecular formula C11H19N5O3 and a molecular weight of 269.30 g/mol. Its IUPAC name is ethyl 1-[2-oxo-2-(pentan-2-ylamino)ethyl]tetrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-oxo-2-(pentan-2-ylamino)ethyl]tetrazole-5-carboxylate
PubChem CID79317843
Molecular FormulaC11H19N5O3
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC Nameethyl 1-[2-oxo-2-(pentan-2-ylamino)ethyl]tetrazole-5-carboxylate
SMILESCCCC(C)NC(=O)Cn1nnnc1C(=O)OCC
InChIInChI=1S/C11H19N5O3/c1-4-6-8(3)12-9(17)7-16-10(13-14-15-16)11(18)19-5-2/h8H,4-7H2,1-3H3,(H,12,17)
InChIKeyCIGHHTZHNJSCSU-UHFFFAOYSA-N
XLogP0.15
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[2-oxo-2-(pentan-2-ylamino)ethyl]tetrazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-(chloromethyl)-1-[2-oxo-2-(pentan-2-ylamino)ethyl]triazole-4-carboxylate
CID 103109397
ethyl 1-(3-methylbutyl)tetrazole-5-carboxylate
CID 79318083
ethyl 1-[2-(2-methoxyethylamino)-2-oxoethyl]tetrazole-5-carboxylate
CID 79318406
ethyl 1-(2-fluoroethyl)tetrazole-5-carboxylate
CID 80696635
ethyl 1-[3-(carbamoylamino)-3-oxopropyl]tetrazole-5-carboxylate
CID 79317376
ethyl 1-[2-(2-iodoanilino)-2-oxoethyl]tetrazole-5-carboxylate
CID 79309343
ethyl 1-[2-(butan-2-ylamino)-2-oxoethyl]-5-(chloromethyl)triazole-4-carboxylate
CID 103108903
ethyl 5-[2-oxo-2-(pentan-2-ylamino)ethyl]sulfanyl-1,3,4-oxadiazole-2-carboxylate
CID 116699893
N-methoxy-2-(5-methyltetrazol-1-yl)acetamide
CID 127012088
ethyl 1-(3,3-dimethylbutyl)tetrazole-5-carboxylate
CID 79317604
5-(2-aminoethyl)-1-[2-oxo-2-(pentan-2-ylamino)ethyl]triazole-4-carboxylic acid
CID 103119270
ethyl 1-(3-hydroxy-3-methylbutyl)tetrazole-5-carboxylate
CID 79355947

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-oxo-2-(pentan-2-ylamino)ethyl]tetrazole-5-carboxylate?
The IUPAC name of ethyl 1-[2-oxo-2-(pentan-2-ylamino)ethyl]tetrazole-5-carboxylate (CID 79317843) is ethyl 1-[2-oxo-2-(pentan-2-ylamino)ethyl]tetrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-[2-oxo-2-(pentan-2-ylamino)ethyl]tetrazole-5-carboxylate?
The canonical SMILES for ethyl 1-[2-oxo-2-(pentan-2-ylamino)ethyl]tetrazole-5-carboxylate is CCCC(C)NC(=O)Cn1nnnc1C(=O)OCC.
What is the InChIKey of ethyl 1-[2-oxo-2-(pentan-2-ylamino)ethyl]tetrazole-5-carboxylate?
The InChIKey is CIGHHTZHNJSCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-4-6-8(3)12-9(17)7-16-10(13-14-15-16)11(18)19-5-2/h8H,4-7H2,1-3H3,(H,12,17).
What are the key properties of ethyl 1-[2-oxo-2-(pentan-2-ylamino)ethyl]tetrazole-5-carboxylate?
ethyl 1-[2-oxo-2-(pentan-2-ylamino)ethyl]tetrazole-5-carboxylate has a molecular weight of 269.30 g/mol, XLogP of 0.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-oxo-2-(pentan-2-ylamino)ethyl]tetrazole-5-carboxylate is sourced from PubChem (CID 79317843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).