ethyl 2-[4-(3-pyrrolidin-1-ylpropanoylamino)triazol-2-yl]acetate

C13H21N5O3 — CID 112535446

IUPACethyl 2-[4-(3-pyrrolidin-1-ylpropanoylamino)triazol-2-yl]acetate
SMILESCCOC(=O)Cn1ncc(NC(=O)CCN2CCCC2)n1
InChIInChI=1S/C13H21N5O3/c1-2-21-13(20)10-18-14-9-11(16-18)15-12(19)5-8-17-6-3-4-7-17/h9H,2-8,10H2,1H3,(H,15,16,19)
InChIKeyKGWSGKNIDKSZOT-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.27
Rot. Bonds7

About ethyl 2-[4-(3-pyrrolidin-1-ylpropanoylamino)triazol-2-yl]acetate

ethyl 2-[4-(3-pyrrolidin-1-ylpropanoylamino)triazol-2-yl]acetate (PubChem CID 112535446) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is ethyl 2-[4-(3-pyrrolidin-1-ylpropanoylamino)triazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(3-pyrrolidin-1-ylpropanoylamino)triazol-2-yl]acetate
PubChem CID112535446
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Nameethyl 2-[4-(3-pyrrolidin-1-ylpropanoylamino)triazol-2-yl]acetate
SMILESCCOC(=O)Cn1ncc(NC(=O)CCN2CCCC2)n1
InChIInChI=1S/C13H21N5O3/c1-2-21-13(20)10-18-14-9-11(16-18)15-12(19)5-8-17-6-3-4-7-17/h9H,2-8,10H2,1H3,(H,15,16,19)
InChIKeyKGWSGKNIDKSZOT-UHFFFAOYSA-N
XLogP0.27
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[4-(3-pyridin-4-ylpropanoylamino)triazol-2-yl]acetate
CID 112535519
ethyl N-[2-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]carbamate
CID 112530460
ethyl 2-[4-[(2-phenoxyacetyl)amino]triazol-2-yl]acetate
CID 112535524
ethyl 2-[2-(3-pyrrolidin-1-ylpropanoylamino)-1,3-thiazol-4-yl]acetate
CID 101012113
ethyl N-[2-(2-amino-2-oxoethyl)triazol-4-yl]carbamate
CID 112520587
ethyl 2-[3-chloro-6-(4-piperidin-1-ylbutanoylamino)pyrazin-2-yl]acetate
CID 58812536
ethyl 2-[4-(1,3-benzodioxole-5-carbonylamino)triazol-2-yl]acetate
CID 112535490
ethyl N-[2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]triazol-4-yl]carbamate
CID 112531278
ethyl 2-[4-[(3-methoxybenzoyl)amino]triazol-2-yl]acetate
CID 112535456
methyl 1-[2-[4-(ethoxycarbonylamino)triazol-2-yl]acetyl]piperidine-4-carboxylate
CID 112531700
ethyl 2-[4-[3-(4-cyanoanilino)-3-oxopropyl]piperazin-1-yl]acetate
CID 22599623
N-pyridin-2-yl-3-pyrrolidin-1-ylpropanamide
CID 110688245

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(3-pyrrolidin-1-ylpropanoylamino)triazol-2-yl]acetate?
The IUPAC name of ethyl 2-[4-(3-pyrrolidin-1-ylpropanoylamino)triazol-2-yl]acetate (CID 112535446) is ethyl 2-[4-(3-pyrrolidin-1-ylpropanoylamino)triazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(3-pyrrolidin-1-ylpropanoylamino)triazol-2-yl]acetate?
The canonical SMILES for ethyl 2-[4-(3-pyrrolidin-1-ylpropanoylamino)triazol-2-yl]acetate is CCOC(=O)Cn1ncc(NC(=O)CCN2CCCC2)n1.
What is the InChIKey of ethyl 2-[4-(3-pyrrolidin-1-ylpropanoylamino)triazol-2-yl]acetate?
The InChIKey is KGWSGKNIDKSZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-2-21-13(20)10-18-14-9-11(16-18)15-12(19)5-8-17-6-3-4-7-17/h9H,2-8,10H2,1H3,(H,15,16,19).
What are the key properties of ethyl 2-[4-(3-pyrrolidin-1-ylpropanoylamino)triazol-2-yl]acetate?
ethyl 2-[4-(3-pyrrolidin-1-ylpropanoylamino)triazol-2-yl]acetate has a molecular weight of 295.34 g/mol, XLogP of 0.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(3-pyrrolidin-1-ylpropanoylamino)triazol-2-yl]acetate is sourced from PubChem (CID 112535446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).