methyl 2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-propylamino]acetate

C14H23N3O3 — CID 61036089

IUPACmethyl 2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-propylamino]acetate
SMILESCCCN(CC(=O)NC1(C#N)CCCC1)CC(=O)OC
InChIInChI=1S/C14H23N3O3/c1-3-8-17(10-13(19)20-2)9-12(18)16-14(11-15)6-4-5-7-14/h3-10H2,1-2H3,(H,16,18)
InChIKeyYFVPYMJIWJFPQQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.82
Rot. Bonds7

About methyl 2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-propylamino]acetate

methyl 2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-propylamino]acetate (PubChem CID 61036089) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is methyl 2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-propylamino]acetate
PubChem CID61036089
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Namemethyl 2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-propylamino]acetate
SMILESCCCN(CC(=O)NC1(C#N)CCCC1)CC(=O)OC
InChIInChI=1S/C14H23N3O3/c1-3-8-17(10-13(19)20-2)9-12(18)16-14(11-15)6-4-5-7-14/h3-10H2,1-2H3,(H,16,18)
InChIKeyYFVPYMJIWJFPQQ-UHFFFAOYSA-N
XLogP0.82
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-propylamino]acetate?
The IUPAC name of methyl 2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-propylamino]acetate (CID 61036089) is methyl 2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-propylamino]acetate.
What is the SMILES notation for methyl 2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-propylamino]acetate?
The canonical SMILES for methyl 2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-propylamino]acetate is CCCN(CC(=O)NC1(C#N)CCCC1)CC(=O)OC.
What is the InChIKey of methyl 2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-propylamino]acetate?
The InChIKey is YFVPYMJIWJFPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-3-8-17(10-13(19)20-2)9-12(18)16-14(11-15)6-4-5-7-14/h3-10H2,1-2H3,(H,16,18).
What are the key properties of methyl 2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-propylamino]acetate?
methyl 2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-propylamino]acetate has a molecular weight of 281.36 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-propylamino]acetate is sourced from PubChem (CID 61036089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).