ethyl 2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-cyclopropylamino]acetate

C15H23N3O3 — CID 47073448

IUPACethyl 2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-cyclopropylamino]acetate
SMILESCCOC(=O)CN(CC(=O)NC1(C#N)CCCC1)C1CC1
InChIInChI=1S/C15H23N3O3/c1-2-21-14(20)10-18(12-5-6-12)9-13(19)17-15(11-16)7-3-4-8-15/h12H,2-10H2,1H3,(H,17,19)
InChIKeyPLEOXDKAPDDUSN-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.97
Rot. Bonds7

About ethyl 2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-cyclopropylamino]acetate

ethyl 2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-cyclopropylamino]acetate (PubChem CID 47073448) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethyl 2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-cyclopropylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-cyclopropylamino]acetate
PubChem CID47073448
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nameethyl 2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-cyclopropylamino]acetate
SMILESCCOC(=O)CN(CC(=O)NC1(C#N)CCCC1)C1CC1
InChIInChI=1S/C15H23N3O3/c1-2-21-14(20)10-18(12-5-6-12)9-13(19)17-15(11-16)7-3-4-8-15/h12H,2-10H2,1H3,(H,17,19)
InChIKeyPLEOXDKAPDDUSN-UHFFFAOYSA-N
XLogP0.97
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-cyclopropylamino]acetate?
The IUPAC name of ethyl 2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-cyclopropylamino]acetate (CID 47073448) is ethyl 2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-cyclopropylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-cyclopropylamino]acetate?
The canonical SMILES for ethyl 2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-cyclopropylamino]acetate is CCOC(=O)CN(CC(=O)NC1(C#N)CCCC1)C1CC1.
What is the InChIKey of ethyl 2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-cyclopropylamino]acetate?
The InChIKey is PLEOXDKAPDDUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-21-14(20)10-18(12-5-6-12)9-13(19)17-15(11-16)7-3-4-8-15/h12H,2-10H2,1H3,(H,17,19).
What are the key properties of ethyl 2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-cyclopropylamino]acetate?
ethyl 2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-cyclopropylamino]acetate has a molecular weight of 293.37 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-cyclopropylamino]acetate is sourced from PubChem (CID 47073448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).