[4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(benzotriazol-1-yl)acetate

C20H20N4O3 — CID 55374047

IUPAC[4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(benzotriazol-1-yl)acetate
SMILESO=C(Cn1nnc2ccccc21)OCc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C20H20N4O3/c25-19(13-24-18-6-2-1-5-17(18)21-22-24)27-14-15-7-9-16(10-8-15)20(26)23-11-3-4-12-23/h1-2,5-10H,3-4,11-14H2
InChIKeyAARNOJKBYSNTRK-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.41
Rot. Bonds5

About [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(benzotriazol-1-yl)acetate

[4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(benzotriazol-1-yl)acetate (PubChem CID 55374047) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(benzotriazol-1-yl)acetate.

Molecular Properties

Compound Name[4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(benzotriazol-1-yl)acetate
PubChem CID55374047
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name[4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(benzotriazol-1-yl)acetate
SMILESO=C(Cn1nnc2ccccc21)OCc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C20H20N4O3/c25-19(13-24-18-6-2-1-5-17(18)21-22-24)27-14-15-7-9-16(10-8-15)20(26)23-11-3-4-12-23/h1-2,5-10H,3-4,11-14H2
InChIKeyAARNOJKBYSNTRK-UHFFFAOYSA-N
XLogP2.41
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(benzotriazol-1-ylmethylamino)phenyl]-piperidin-1-ylmethanone
CID 12669213
3-[2-(benzotriazol-1-yl)acetyl]oxypropyl 2-(benzotriazol-1-yl)acetate
CID 55567943
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 16560225
[4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-quinoxalin-2-ylsulfanylacetate
CID 32974533
[2-(cyclopentylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 23908032
cyclohexyl 2-(benzotriazol-1-yl)acetate
CID 102603743
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 23737677
[4-(benzotriazol-1-ylmethyl)phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 8967221
2-(benzotriazol-1-yl)-1-cyclohexylethanone
CID 115579305
[4-(benzotriazol-1-ylmethyl)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone
CID 9181974
[4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-[(4-phenylbenzoyl)amino]acetate
CID 32970914
[2-(benzylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 2554046

Frequently Asked Questions

What is the IUPAC name of [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(benzotriazol-1-yl)acetate?
The IUPAC name of [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(benzotriazol-1-yl)acetate (CID 55374047) is [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(benzotriazol-1-yl)acetate.
What is the SMILES notation for [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(benzotriazol-1-yl)acetate?
The canonical SMILES for [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(benzotriazol-1-yl)acetate is O=C(Cn1nnc2ccccc21)OCc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(benzotriazol-1-yl)acetate?
The InChIKey is AARNOJKBYSNTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-19(13-24-18-6-2-1-5-17(18)21-22-24)27-14-15-7-9-16(10-8-15)20(26)23-11-3-4-12-23/h1-2,5-10H,3-4,11-14H2.
What are the key properties of [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(benzotriazol-1-yl)acetate?
[4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(benzotriazol-1-yl)acetate has a molecular weight of 364.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(benzotriazol-1-yl)acetate is sourced from PubChem (CID 55374047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).