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

C13H23N3O3 — CID 54944312

IUPACethyl 2-[cyclopropyl-(2-piperazin-1-ylacetyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)CN1CCNCC1)C1CC1
InChIInChI=1S/C13H23N3O3/c1-2-19-13(18)10-16(11-3-4-11)12(17)9-15-7-5-14-6-8-15/h11,14H,2-10H2,1H3
InChIKeyGDYUQKYXGLDSLN-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.55
Rot. Bonds6

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

ethyl 2-[cyclopropyl-(2-piperazin-1-ylacetyl)amino]acetate (PubChem CID 54944312) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-(2-piperazin-1-ylacetyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-(2-piperazin-1-ylacetyl)amino]acetate
PubChem CID54944312
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Nameethyl 2-[cyclopropyl-(2-piperazin-1-ylacetyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)CN1CCNCC1)C1CC1
InChIInChI=1S/C13H23N3O3/c1-2-19-13(18)10-16(11-3-4-11)12(17)9-15-7-5-14-6-8-15/h11,14H,2-10H2,1H3
InChIKeyGDYUQKYXGLDSLN-UHFFFAOYSA-N
XLogP-0.55
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-(2-piperazin-1-ylacetyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-(2-piperazin-1-ylacetyl)amino]acetate (CID 54944312) is ethyl 2-[cyclopropyl-(2-piperazin-1-ylacetyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-(2-piperazin-1-ylacetyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-(2-piperazin-1-ylacetyl)amino]acetate is CCOC(=O)CN(C(=O)CN1CCNCC1)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-(2-piperazin-1-ylacetyl)amino]acetate?
The InChIKey is GDYUQKYXGLDSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-2-19-13(18)10-16(11-3-4-11)12(17)9-15-7-5-14-6-8-15/h11,14H,2-10H2,1H3.
What are the key properties of ethyl 2-[cyclopropyl-(2-piperazin-1-ylacetyl)amino]acetate?
ethyl 2-[cyclopropyl-(2-piperazin-1-ylacetyl)amino]acetate has a molecular weight of 269.34 g/mol, XLogP of -0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-(2-piperazin-1-ylacetyl)amino]acetate is sourced from PubChem (CID 54944312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).