methyl 3-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate

C14H23N3O3 — CID 60966425

IUPACmethyl 3-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)CC(=O)NC1(C#N)CCCC1
InChIInChI=1S/C14H23N3O3/c1-11(13(19)20-3)8-17(2)9-12(18)16-14(10-15)6-4-5-7-14/h11H,4-9H2,1-3H3,(H,16,18)
InChIKeyFYVYATZZANUJTM-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.68
Rot. Bonds6

About methyl 3-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate

methyl 3-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate (PubChem CID 60966425) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is methyl 3-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate
PubChem CID60966425
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Namemethyl 3-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)CC(=O)NC1(C#N)CCCC1
InChIInChI=1S/C14H23N3O3/c1-11(13(19)20-3)8-17(2)9-12(18)16-14(10-15)6-4-5-7-14/h11H,4-9H2,1-3H3,(H,16,18)
InChIKeyFYVYATZZANUJTM-UHFFFAOYSA-N
XLogP0.68
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate (CID 60966425) is methyl 3-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate is COC(=O)C(C)CN(C)CC(=O)NC1(C#N)CCCC1.
What is the InChIKey of methyl 3-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate?
The InChIKey is FYVYATZZANUJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-11(13(19)20-3)8-17(2)9-12(18)16-14(10-15)6-4-5-7-14/h11H,4-9H2,1-3H3,(H,16,18).
What are the key properties of methyl 3-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate?
methyl 3-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate has a molecular weight of 281.36 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate is sourced from PubChem (CID 60966425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).