[2-(methylamino)cyclopentyl] 2-aminoacetate

C8H16N2O2 — CID 59686753

IUPAC[2-(methylamino)cyclopentyl] 2-aminoacetate
SMILESCNC1CCCC1OC(=O)CN
InChIInChI=1S/C8H16N2O2/c1-10-6-3-2-4-7(6)12-8(11)5-9/h6-7,10H,2-5,9H2,1H3
InChIKeyBSIIYSLEIZHPRC-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.37
Rot. Bonds3

About [2-(methylamino)cyclopentyl] 2-aminoacetate

[2-(methylamino)cyclopentyl] 2-aminoacetate (PubChem CID 59686753) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is [2-(methylamino)cyclopentyl] 2-aminoacetate.

Molecular Properties

Compound Name[2-(methylamino)cyclopentyl] 2-aminoacetate
PubChem CID59686753
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name[2-(methylamino)cyclopentyl] 2-aminoacetate
SMILESCNC1CCCC1OC(=O)CN
InChIInChI=1S/C8H16N2O2/c1-10-6-3-2-4-7(6)12-8(11)5-9/h6-7,10H,2-5,9H2,1H3
InChIKeyBSIIYSLEIZHPRC-UHFFFAOYSA-N
XLogP-0.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)cyclopentyl] 2-aminoacetate?
The IUPAC name of [2-(methylamino)cyclopentyl] 2-aminoacetate (CID 59686753) is [2-(methylamino)cyclopentyl] 2-aminoacetate.
What is the SMILES notation for [2-(methylamino)cyclopentyl] 2-aminoacetate?
The canonical SMILES for [2-(methylamino)cyclopentyl] 2-aminoacetate is CNC1CCCC1OC(=O)CN.
What is the InChIKey of [2-(methylamino)cyclopentyl] 2-aminoacetate?
The InChIKey is BSIIYSLEIZHPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-10-6-3-2-4-7(6)12-8(11)5-9/h6-7,10H,2-5,9H2,1H3.
What are the key properties of [2-(methylamino)cyclopentyl] 2-aminoacetate?
[2-(methylamino)cyclopentyl] 2-aminoacetate has a molecular weight of 172.23 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)cyclopentyl] 2-aminoacetate is sourced from PubChem (CID 59686753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).