2-amino-2-(1-methanidylpyrrolidin-3-yl)-1-pyrrolidin-1-ylethanone

C11H20N3O- — CID 88553492

IUPAC2-amino-2-(1-methanidylpyrrolidin-3-yl)-1-pyrrolidin-1-ylethanone
SMILES[CH2-]N1CCC(C(N)C(=O)N2CCCC2)C1
InChIInChI=1S/C11H20N3O/c1-13-7-4-9(8-13)10(12)11(15)14-5-2-3-6-14/h9-10H,1-8,12H2/q-1
InChIKeyRCDTYJZBEIPMSH-UHFFFAOYSA-N
MW210.30 g/mol
LogP0.05
Rot. Bonds2

About 2-amino-2-(1-methanidylpyrrolidin-3-yl)-1-pyrrolidin-1-ylethanone

2-amino-2-(1-methanidylpyrrolidin-3-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 88553492) has the molecular formula C11H20N3O- and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-amino-2-(1-methanidylpyrrolidin-3-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-amino-2-(1-methanidylpyrrolidin-3-yl)-1-pyrrolidin-1-ylethanone
PubChem CID88553492
Molecular FormulaC11H20N3O-
Molecular Weight210.30 g/mol
Exact Mass210.16
IUPAC Name2-amino-2-(1-methanidylpyrrolidin-3-yl)-1-pyrrolidin-1-ylethanone
SMILES[CH2-]N1CCC(C(N)C(=O)N2CCCC2)C1
InChIInChI=1S/C11H20N3O/c1-13-7-4-9(8-13)10(12)11(15)14-5-2-3-6-14/h9-10H,1-8,12H2/q-1
InChIKeyRCDTYJZBEIPMSH-UHFFFAOYSA-N
XLogP0.05
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-methanidylpyrrolidin-3-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-amino-2-(1-methanidylpyrrolidin-3-yl)-1-pyrrolidin-1-ylethanone (CID 88553492) is 2-amino-2-(1-methanidylpyrrolidin-3-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-amino-2-(1-methanidylpyrrolidin-3-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-amino-2-(1-methanidylpyrrolidin-3-yl)-1-pyrrolidin-1-ylethanone is [CH2-]N1CCC(C(N)C(=O)N2CCCC2)C1.
What is the InChIKey of 2-amino-2-(1-methanidylpyrrolidin-3-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is RCDTYJZBEIPMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N3O/c1-13-7-4-9(8-13)10(12)11(15)14-5-2-3-6-14/h9-10H,1-8,12H2/q-1.
What are the key properties of 2-amino-2-(1-methanidylpyrrolidin-3-yl)-1-pyrrolidin-1-ylethanone?
2-amino-2-(1-methanidylpyrrolidin-3-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 210.30 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-methanidylpyrrolidin-3-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 88553492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).