[2-(cyclopentylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate

C15H18N4O3 — CID 23908032

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
SMILESO=C(COC(=O)Cn1nnc2ccccc21)NC1CCCC1
InChIInChI=1S/C15H18N4O3/c20-14(16-11-5-1-2-6-11)10-22-15(21)9-19-13-8-4-3-7-12(13)17-18-19/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,16,20)
InChIKeyYELAWIHUEGTVDH-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.03
Rot. Bonds5

About [2-(cyclopentylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate

[2-(cyclopentylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate (PubChem CID 23908032) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
PubChem CID23908032
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
SMILESO=C(COC(=O)Cn1nnc2ccccc21)NC1CCCC1
InChIInChI=1S/C15H18N4O3/c20-14(16-11-5-1-2-6-11)10-22-15(21)9-19-13-8-4-3-7-12(13)17-18-19/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,16,20)
InChIKeyYELAWIHUEGTVDH-UHFFFAOYSA-N
XLogP1.03
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(cyclopentylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate 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

[2-(benzylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 2554046
cyclohexyl 2-(benzotriazol-1-yl)acetate
CID 102603743
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 23737677
3-[2-(benzotriazol-1-yl)acetyl]oxypropyl 2-(benzotriazol-1-yl)acetate
CID 55567943
N-[2-(benzotriazol-1-yl)ethyl]-N'-cycloheptylbutanediamide
CID 46982982
[2-(2-cyanoanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 23791724
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(benzotriazol-1-yl)acetate
CID 25037674
2-(benzotriazol-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8025550
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 23964451
2-(benzotriazol-1-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-phenylethyl)acetamide
CID 1168165
2-(benzotriazol-1-yl)-1-cyclohexylethanone
CID 115579305
[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 55481454

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate (CID 23908032) is [2-(cyclopentylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate is O=C(COC(=O)Cn1nnc2ccccc21)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate?
The InChIKey is YELAWIHUEGTVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c20-14(16-11-5-1-2-6-11)10-22-15(21)9-19-13-8-4-3-7-12(13)17-18-19/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,16,20).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate?
[2-(cyclopentylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate has a molecular weight of 302.33 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate is sourced from PubChem (CID 23908032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).