ethyl N-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]carbamate

C10H15N5O4 — CID 112531409

IUPACethyl N-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
SMILESCCOC(=O)Nc1cnn(CC(=O)N2CC(O)C2)n1
InChIInChI=1S/C10H15N5O4/c1-2-19-10(18)12-8-3-11-15(13-8)6-9(17)14-4-7(16)5-14/h3,7,16H,2,4-6H2,1H3,(H,12,13,18)
InChIKeyCVQOHGITVLSLFC-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.95
Rot. Bonds4

About ethyl N-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]carbamate

ethyl N-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]carbamate (PubChem CID 112531409) has the molecular formula C10H15N5O4 and a molecular weight of 269.26 g/mol. Its IUPAC name is ethyl N-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
PubChem CID112531409
Molecular FormulaC10H15N5O4
Molecular Weight269.26 g/mol
Exact Mass269.11
IUPAC Nameethyl N-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
SMILESCCOC(=O)Nc1cnn(CC(=O)N2CC(O)C2)n1
InChIInChI=1S/C10H15N5O4/c1-2-19-10(18)12-8-3-11-15(13-8)6-9(17)14-4-7(16)5-14/h3,7,16H,2,4-6H2,1H3,(H,12,13,18)
InChIKeyCVQOHGITVLSLFC-UHFFFAOYSA-N
XLogP-0.95
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]carbamate?
The IUPAC name of ethyl N-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]carbamate (CID 112531409) is ethyl N-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]carbamate.
What is the SMILES notation for ethyl N-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]carbamate?
The canonical SMILES for ethyl N-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]carbamate is CCOC(=O)Nc1cnn(CC(=O)N2CC(O)C2)n1.
What is the InChIKey of ethyl N-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]carbamate?
The InChIKey is CVQOHGITVLSLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O4/c1-2-19-10(18)12-8-3-11-15(13-8)6-9(17)14-4-7(16)5-14/h3,7,16H,2,4-6H2,1H3,(H,12,13,18).
What are the key properties of ethyl N-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]carbamate?
ethyl N-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]carbamate has a molecular weight of 269.26 g/mol, XLogP of -0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]carbamate is sourced from PubChem (CID 112531409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).