ethyl 2-[2-methylpropyl-[2-(tetrazol-1-yl)acetyl]amino]acetate

C11H19N5O3 — CID 52638367

IUPACethyl 2-[2-methylpropyl-[2-(tetrazol-1-yl)acetyl]amino]acetate
SMILESCCOC(=O)CN(CC(C)C)C(=O)Cn1cnnn1
InChIInChI=1S/C11H19N5O3/c1-4-19-11(18)7-15(5-9(2)3)10(17)6-16-8-12-13-14-16/h8-9H,4-7H2,1-3H3
InChIKeyLHJNGQCYFFMBGU-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.28
Rot. Bonds7

About ethyl 2-[2-methylpropyl-[2-(tetrazol-1-yl)acetyl]amino]acetate

ethyl 2-[2-methylpropyl-[2-(tetrazol-1-yl)acetyl]amino]acetate (PubChem CID 52638367) has the molecular formula C11H19N5O3 and a molecular weight of 269.30 g/mol. Its IUPAC name is ethyl 2-[2-methylpropyl-[2-(tetrazol-1-yl)acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-methylpropyl-[2-(tetrazol-1-yl)acetyl]amino]acetate
PubChem CID52638367
Molecular FormulaC11H19N5O3
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC Nameethyl 2-[2-methylpropyl-[2-(tetrazol-1-yl)acetyl]amino]acetate
SMILESCCOC(=O)CN(CC(C)C)C(=O)Cn1cnnn1
InChIInChI=1S/C11H19N5O3/c1-4-19-11(18)7-15(5-9(2)3)10(17)6-16-8-12-13-14-16/h8-9H,4-7H2,1-3H3
InChIKeyLHJNGQCYFFMBGU-UHFFFAOYSA-N
XLogP-0.28
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-methylpropyl-[2-(tetrazol-1-yl)acetyl]amino]acetate?
The IUPAC name of ethyl 2-[2-methylpropyl-[2-(tetrazol-1-yl)acetyl]amino]acetate (CID 52638367) is ethyl 2-[2-methylpropyl-[2-(tetrazol-1-yl)acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[2-methylpropyl-[2-(tetrazol-1-yl)acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[2-methylpropyl-[2-(tetrazol-1-yl)acetyl]amino]acetate is CCOC(=O)CN(CC(C)C)C(=O)Cn1cnnn1.
What is the InChIKey of ethyl 2-[2-methylpropyl-[2-(tetrazol-1-yl)acetyl]amino]acetate?
The InChIKey is LHJNGQCYFFMBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-4-19-11(18)7-15(5-9(2)3)10(17)6-16-8-12-13-14-16/h8-9H,4-7H2,1-3H3.
What are the key properties of ethyl 2-[2-methylpropyl-[2-(tetrazol-1-yl)acetyl]amino]acetate?
ethyl 2-[2-methylpropyl-[2-(tetrazol-1-yl)acetyl]amino]acetate has a molecular weight of 269.30 g/mol, XLogP of -0.28, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-methylpropyl-[2-(tetrazol-1-yl)acetyl]amino]acetate is sourced from PubChem (CID 52638367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).