CAS
91719-58-3 Purity
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91719-58-3 Purity
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2-Boc-amino-1-(4-carbamoyl-piperazin-1-yl)-ethanone
CAS
917202-00-7
Catalog Number
ACM917202007
Category
Other Products
Molecular Weight
286.33
Molecular Formula
C12H22N4O4
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Specification
IUPAC Name
tert-butylN-[2-(4-carbamoylpiperazin-1-yl)-2-oxoethyl]carbamate
Canonical SMILES
CC(C)(C)OC(=O)NCC(=O)N1CCN(CC1)C(=O)N
InChI Key
YMQRFVDFPNPYAN-UHFFFAOYSA-N
Density
1.228g/cm³
Exact Mass
286.16400
What is the molecular formula of 2-Boc-amino-1-(4-carbamoyl-piperazin-1-yl)-ethanone?
The molecular formula of 2-Boc-amino-1-(4-carbamoyl-piperazin-1-yl)-ethanone is C12H22N4O4.
When was 2-Boc-amino-1-(4-carbamoyl-piperazin-1-yl)-ethanone created and modified in the PubChem database?
It was created on 2009-05-28 and modified on 2023-12-30.
What is the molecular weight of 2-Boc-amino-1-(4-carbamoyl-piperazin-1-yl)-ethanone?
The molecular weight is 286.33 g/mol.
What is the IUPAC name of 2-Boc-amino-1-(4-carbamoyl-piperazin-1-yl)-ethanone?
The IUPAC name is tert-butyl N-[2-(4-carbamoylpiperazin-1-yl)-2-oxoethyl]carbamate.
What is the InChI key of 2-Boc-amino-1-(4-carbamoyl-piperazin-1-yl)-ethanone?
The InChI Key is YMQRFVDFPNPYAN-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 2-Boc-amino-1-(4-carbamoyl-piperazin-1-yl)-ethanone have?
It has 2 hydrogen bond donor counts.
What is the XLogP3-AA value of 2-Boc-amino-1-(4-carbamoyl-piperazin-1-yl)-ethanone?
The XLogP3-AA value is -0.8.
What is the topological polar surface area of 2-Boc-amino-1-(4-carbamoyl-piperazin-1-yl)-ethanone?
The topological polar surface area is 105?2.
How many rotatable bond counts does 2-Boc-amino-1-(4-carbamoyl-piperazin-1-yl)-ethanone have?
It has 4 rotatable bond counts.
Is 2-Boc-amino-1-(4-carbamoyl-piperazin-1-yl)-ethanone a canonicalized compound in PubChem?
Yes, it is a canonicalized compound in PubChem.
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