2-[[1-[2-[cyclopentyl(methyl)amino]-2-oxoethyl]triazol-4-yl]methyl]oxolane-2-carboxylic acid

C16H24N4O4 — CID 166300196

IUPAC2-[[1-[2-[cyclopentyl(methyl)amino]-2-oxoethyl]triazol-4-yl]methyl]oxolane-2-carboxylic acid
SMILESCN(C(=O)Cn1cc(CC2(C(=O)O)CCCO2)nn1)C1CCCC1
InChIInChI=1S/C16H24N4O4/c1-19(13-5-2-3-6-13)14(21)11-20-10-12(17-18-20)9-16(15(22)23)7-4-8-24-16/h10,13H,2-9,11H2,1H3,(H,22,23)
InChIKeyVGHLSWKRPLLFMB-UHFFFAOYSA-N
MW336.39 g/mol
LogP0.86
Rot. Bonds6

About 2-[[1-[2-[cyclopentyl(methyl)amino]-2-oxoethyl]triazol-4-yl]methyl]oxolane-2-carboxylic acid

2-[[1-[2-[cyclopentyl(methyl)amino]-2-oxoethyl]triazol-4-yl]methyl]oxolane-2-carboxylic acid (PubChem CID 166300196) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-[[1-[2-[cyclopentyl(methyl)amino]-2-oxoethyl]triazol-4-yl]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name2-[[1-[2-[cyclopentyl(methyl)amino]-2-oxoethyl]triazol-4-yl]methyl]oxolane-2-carboxylic acid
PubChem CID166300196
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name2-[[1-[2-[cyclopentyl(methyl)amino]-2-oxoethyl]triazol-4-yl]methyl]oxolane-2-carboxylic acid
SMILESCN(C(=O)Cn1cc(CC2(C(=O)O)CCCO2)nn1)C1CCCC1
InChIInChI=1S/C16H24N4O4/c1-19(13-5-2-3-6-13)14(21)11-20-10-12(17-18-20)9-16(15(22)23)7-4-8-24-16/h10,13H,2-9,11H2,1H3,(H,22,23)
InChIKeyVGHLSWKRPLLFMB-UHFFFAOYSA-N
XLogP0.86
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-[cyclopentyl(methyl)amino]-2-oxoethyl]triazol-4-yl]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 2-[[1-[2-[cyclopentyl(methyl)amino]-2-oxoethyl]triazol-4-yl]methyl]oxolane-2-carboxylic acid (CID 166300196) is 2-[[1-[2-[cyclopentyl(methyl)amino]-2-oxoethyl]triazol-4-yl]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 2-[[1-[2-[cyclopentyl(methyl)amino]-2-oxoethyl]triazol-4-yl]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 2-[[1-[2-[cyclopentyl(methyl)amino]-2-oxoethyl]triazol-4-yl]methyl]oxolane-2-carboxylic acid is CN(C(=O)Cn1cc(CC2(C(=O)O)CCCO2)nn1)C1CCCC1.
What is the InChIKey of 2-[[1-[2-[cyclopentyl(methyl)amino]-2-oxoethyl]triazol-4-yl]methyl]oxolane-2-carboxylic acid?
The InChIKey is VGHLSWKRPLLFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-19(13-5-2-3-6-13)14(21)11-20-10-12(17-18-20)9-16(15(22)23)7-4-8-24-16/h10,13H,2-9,11H2,1H3,(H,22,23).
What are the key properties of 2-[[1-[2-[cyclopentyl(methyl)amino]-2-oxoethyl]triazol-4-yl]methyl]oxolane-2-carboxylic acid?
2-[[1-[2-[cyclopentyl(methyl)amino]-2-oxoethyl]triazol-4-yl]methyl]oxolane-2-carboxylic acid has a molecular weight of 336.39 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-[cyclopentyl(methyl)amino]-2-oxoethyl]triazol-4-yl]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 166300196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).