(5R)-5-(2-aminoethyl)-1-(2-methoxyethyl)pyrrolidin-2-one

C9H18N2O2 — CID 86333454

IUPAC(5R)-5-(2-aminoethyl)-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C(=O)CC[C@@H]1CCN
InChIInChI=1S/C9H18N2O2/c1-13-7-6-11-8(4-5-10)2-3-9(11)12/h8H,2-7,10H2,1H3/t8-/m1/s1
InChIKeyZMMBFWSYTXFAJS-MRVPVSSYSA-N
MW186.25 g/mol
LogP-0.03
Rot. Bonds5

About (5R)-5-(2-aminoethyl)-1-(2-methoxyethyl)pyrrolidin-2-one

(5R)-5-(2-aminoethyl)-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 86333454) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (5R)-5-(2-aminoethyl)-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(2-aminoethyl)-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID86333454
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(5R)-5-(2-aminoethyl)-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C(=O)CC[C@@H]1CCN
InChIInChI=1S/C9H18N2O2/c1-13-7-6-11-8(4-5-10)2-3-9(11)12/h8H,2-7,10H2,1H3/t8-/m1/s1
InChIKeyZMMBFWSYTXFAJS-MRVPVSSYSA-N
XLogP-0.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2-aminoethyl)-1-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of (5R)-5-(2-aminoethyl)-1-(2-methoxyethyl)pyrrolidin-2-one (CID 86333454) is (5R)-5-(2-aminoethyl)-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-(2-aminoethyl)-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for (5R)-5-(2-aminoethyl)-1-(2-methoxyethyl)pyrrolidin-2-one is COCCN1C(=O)CC[C@@H]1CCN.
What is the InChIKey of (5R)-5-(2-aminoethyl)-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is ZMMBFWSYTXFAJS-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-13-7-6-11-8(4-5-10)2-3-9(11)12/h8H,2-7,10H2,1H3/t8-/m1/s1.
What are the key properties of (5R)-5-(2-aminoethyl)-1-(2-methoxyethyl)pyrrolidin-2-one?
(5R)-5-(2-aminoethyl)-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 186.25 g/mol, XLogP of -0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2-aminoethyl)-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 86333454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).