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

C16H20N4O3 — CID 24793399

IUPAC[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(benzotriazol-1-yl)acetate
SMILESCC(OC(=O)Cn1nnc2ccccc21)C(=O)NC1CCCC1
InChIInChI=1S/C16H20N4O3/c1-11(16(22)17-12-6-2-3-7-12)23-15(21)10-20-14-9-5-4-8-13(14)18-19-20/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3,(H,17,22)
InChIKeyHIQWEHRQHYWGPQ-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.42
Rot. Bonds5

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

[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(benzotriazol-1-yl)acetate (PubChem CID 24793399) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(benzotriazol-1-yl)acetate.

Molecular Properties

Compound Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(benzotriazol-1-yl)acetate
PubChem CID24793399
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(benzotriazol-1-yl)acetate
SMILESCC(OC(=O)Cn1nnc2ccccc21)C(=O)NC1CCCC1
InChIInChI=1S/C16H20N4O3/c1-11(16(22)17-12-6-2-3-7-12)23-15(21)10-20-14-9-5-4-8-13(14)18-19-20/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3,(H,17,22)
InChIKeyHIQWEHRQHYWGPQ-UHFFFAOYSA-N
XLogP1.42
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(benzotriazol-1-yl)acetate?
The IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(benzotriazol-1-yl)acetate (CID 24793399) is [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(benzotriazol-1-yl)acetate.
What is the SMILES notation for [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(benzotriazol-1-yl)acetate?
The canonical SMILES for [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(benzotriazol-1-yl)acetate is CC(OC(=O)Cn1nnc2ccccc21)C(=O)NC1CCCC1.
What is the InChIKey of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(benzotriazol-1-yl)acetate?
The InChIKey is HIQWEHRQHYWGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-11(16(22)17-12-6-2-3-7-12)23-15(21)10-20-14-9-5-4-8-13(14)18-19-20/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3,(H,17,22).
What are the key properties of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(benzotriazol-1-yl)acetate?
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(benzotriazol-1-yl)acetate has a molecular weight of 316.36 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(benzotriazol-1-yl)acetate is sourced from PubChem (CID 24793399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).