ethyl 2-[methyl-(2-piperazin-1-ylacetyl)amino]acetate

C11H21N3O3 — CID 54969010

IUPACethyl 2-[methyl-(2-piperazin-1-ylacetyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)CN1CCNCC1
InChIInChI=1S/C11H21N3O3/c1-3-17-11(16)9-13(2)10(15)8-14-6-4-12-5-7-14/h12H,3-9H2,1-2H3
InChIKeyCSUDZLAUVYNVGF-UHFFFAOYSA-N
MW243.31 g/mol
LogP-1.09
Rot. Bonds5

About ethyl 2-[methyl-(2-piperazin-1-ylacetyl)amino]acetate

ethyl 2-[methyl-(2-piperazin-1-ylacetyl)amino]acetate (PubChem CID 54969010) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is ethyl 2-[methyl-(2-piperazin-1-ylacetyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-(2-piperazin-1-ylacetyl)amino]acetate
PubChem CID54969010
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Nameethyl 2-[methyl-(2-piperazin-1-ylacetyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)CN1CCNCC1
InChIInChI=1S/C11H21N3O3/c1-3-17-11(16)9-13(2)10(15)8-14-6-4-12-5-7-14/h12H,3-9H2,1-2H3
InChIKeyCSUDZLAUVYNVGF-UHFFFAOYSA-N
XLogP-1.09
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[cyclopropyl-(2-piperazin-1-ylacetyl)amino]acetate
CID 54944312
2-[[2-(1,4-diazepan-1-yl)acetyl]-methylamino]acetic acid
CID 62838348
ethyl 2-[4,8-bis(2-ethoxy-2-oxoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetate
CID 59227643
methyl 4-[methyl-(2-piperazin-1-ylacetyl)amino]butanoate
CID 54944719
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-piperazin-1-ylacetamide
CID 43162383
ethyl 3-[7-(3-ethoxy-3-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoate
CID 132559455
ethyl 2-[4-(2-ethoxy-2-oxoethyl)-8-ethyl-1,4,8,11-tetrazacyclotetradec-1-yl]acetate
CID 90455410
N-methyl-N-(2-methylsulfonylethyl)-2-piperazin-1-ylacetamide
CID 79858894
ethyl 2-[methyl-[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetate
CID 21311677
ethyl 7-piperazin-1-ylheptanoate
CID 21477471
2-(1,4-diazepan-1-yl)-N-(2-hydroxypropyl)-N-methylacetamide
CID 62832566
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propanamide
CID 43603133

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-(2-piperazin-1-ylacetyl)amino]acetate?
The IUPAC name of ethyl 2-[methyl-(2-piperazin-1-ylacetyl)amino]acetate (CID 54969010) is ethyl 2-[methyl-(2-piperazin-1-ylacetyl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-(2-piperazin-1-ylacetyl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl-(2-piperazin-1-ylacetyl)amino]acetate is CCOC(=O)CN(C)C(=O)CN1CCNCC1.
What is the InChIKey of ethyl 2-[methyl-(2-piperazin-1-ylacetyl)amino]acetate?
The InChIKey is CSUDZLAUVYNVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-3-17-11(16)9-13(2)10(15)8-14-6-4-12-5-7-14/h12H,3-9H2,1-2H3.
What are the key properties of ethyl 2-[methyl-(2-piperazin-1-ylacetyl)amino]acetate?
ethyl 2-[methyl-(2-piperazin-1-ylacetyl)amino]acetate has a molecular weight of 243.31 g/mol, XLogP of -1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-(2-piperazin-1-ylacetyl)amino]acetate is sourced from PubChem (CID 54969010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).