methyl 2-[(2-cyanocyclopentyl)amino]butanoate

C11H18N2O2 — CID 115353356

IUPACmethyl 2-[(2-cyanocyclopentyl)amino]butanoate
SMILESCCC(NC1CCCC1C#N)C(=O)OC
InChIInChI=1S/C11H18N2O2/c1-3-9(11(14)15-2)13-10-6-4-5-8(10)7-12/h8-10,13H,3-6H2,1-2H3
InChIKeyCNAOXZGQRCDYAE-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.22
Rot. Bonds4

About methyl 2-[(2-cyanocyclopentyl)amino]butanoate

methyl 2-[(2-cyanocyclopentyl)amino]butanoate (PubChem CID 115353356) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is methyl 2-[(2-cyanocyclopentyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 2-[(2-cyanocyclopentyl)amino]butanoate
PubChem CID115353356
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Namemethyl 2-[(2-cyanocyclopentyl)amino]butanoate
SMILESCCC(NC1CCCC1C#N)C(=O)OC
InChIInChI=1S/C11H18N2O2/c1-3-9(11(14)15-2)13-10-6-4-5-8(10)7-12/h8-10,13H,3-6H2,1-2H3
InChIKeyCNAOXZGQRCDYAE-UHFFFAOYSA-N
XLogP1.22
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-cyanocyclopentyl)amino]butanoate?
The IUPAC name of methyl 2-[(2-cyanocyclopentyl)amino]butanoate (CID 115353356) is methyl 2-[(2-cyanocyclopentyl)amino]butanoate.
What is the SMILES notation for methyl 2-[(2-cyanocyclopentyl)amino]butanoate?
The canonical SMILES for methyl 2-[(2-cyanocyclopentyl)amino]butanoate is CCC(NC1CCCC1C#N)C(=O)OC.
What is the InChIKey of methyl 2-[(2-cyanocyclopentyl)amino]butanoate?
The InChIKey is CNAOXZGQRCDYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-9(11(14)15-2)13-10-6-4-5-8(10)7-12/h8-10,13H,3-6H2,1-2H3.
What are the key properties of methyl 2-[(2-cyanocyclopentyl)amino]butanoate?
methyl 2-[(2-cyanocyclopentyl)amino]butanoate has a molecular weight of 210.28 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-cyanocyclopentyl)amino]butanoate is sourced from PubChem (CID 115353356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).