ethyl 2-[cyanomethyl(cyclopentyl)amino]pentanoate

C14H24N2O2 — CID 83040934

IUPACethyl 2-[cyanomethyl(cyclopentyl)amino]pentanoate
SMILESCCCC(C(=O)OCC)N(CC#N)C1CCCC1
InChIInChI=1S/C14H24N2O2/c1-3-7-13(14(17)18-4-2)16(11-10-15)12-8-5-6-9-12/h12-13H,3-9,11H2,1-2H3
InChIKeyXRCJBXBXCRLRAE-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.49
Rot. Bonds7

About ethyl 2-[cyanomethyl(cyclopentyl)amino]pentanoate

ethyl 2-[cyanomethyl(cyclopentyl)amino]pentanoate (PubChem CID 83040934) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is ethyl 2-[cyanomethyl(cyclopentyl)amino]pentanoate.

Molecular Properties

Compound Nameethyl 2-[cyanomethyl(cyclopentyl)amino]pentanoate
PubChem CID83040934
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Nameethyl 2-[cyanomethyl(cyclopentyl)amino]pentanoate
SMILESCCCC(C(=O)OCC)N(CC#N)C1CCCC1
InChIInChI=1S/C14H24N2O2/c1-3-7-13(14(17)18-4-2)16(11-10-15)12-8-5-6-9-12/h12-13H,3-9,11H2,1-2H3
InChIKeyXRCJBXBXCRLRAE-UHFFFAOYSA-N
XLogP2.49
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[cyclopentyl(3-methylbutyl)amino]pentanoate
CID 83049195
ethyl 2-[cyanomethyl(propyl)amino]pentanoate
CID 83040932
ethyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]pentanoate
CID 83050233
ethyl 2-[bis(cyanomethyl)amino]butanoate
CID 64661054
ethyl 2-[1-cyanopropan-2-yl(methyl)amino]pentanoate
CID 83041447
2-[cyclohexyl(ethyl)amino]pentanoic acid
CID 83040857
ethyl 2-[azepan-4-yl(methyl)amino]pentanoate
CID 107173439
ethyl 2-[cyanomethyl(methyl)amino]butanoate
CID 64660730
ethyl 2-[2-cyanoethyl(methyl)amino]pentanoate
CID 79974219
2-[cyclopentyl(2-methylpropyl)amino]pentanoic acid
CID 83048898
ethyl 2-[(4-ethylcyclohexyl)-methylamino]pentanoate
CID 83041492
ethyl 2-[methyl(pyrrolidin-3-yl)amino]pentanoate
CID 83049855

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyanomethyl(cyclopentyl)amino]pentanoate?
The IUPAC name of ethyl 2-[cyanomethyl(cyclopentyl)amino]pentanoate (CID 83040934) is ethyl 2-[cyanomethyl(cyclopentyl)amino]pentanoate.
What is the SMILES notation for ethyl 2-[cyanomethyl(cyclopentyl)amino]pentanoate?
The canonical SMILES for ethyl 2-[cyanomethyl(cyclopentyl)amino]pentanoate is CCCC(C(=O)OCC)N(CC#N)C1CCCC1.
What is the InChIKey of ethyl 2-[cyanomethyl(cyclopentyl)amino]pentanoate?
The InChIKey is XRCJBXBXCRLRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-7-13(14(17)18-4-2)16(11-10-15)12-8-5-6-9-12/h12-13H,3-9,11H2,1-2H3.
What are the key properties of ethyl 2-[cyanomethyl(cyclopentyl)amino]pentanoate?
ethyl 2-[cyanomethyl(cyclopentyl)amino]pentanoate has a molecular weight of 252.36 g/mol, XLogP of 2.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyanomethyl(cyclopentyl)amino]pentanoate is sourced from PubChem (CID 83040934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).