(5S)-5-(aminomethyl)-3-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazolidin-2-one

C11H21N3O2 — CID 115056598

IUPAC(5S)-5-(aminomethyl)-3-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazolidin-2-one
SMILESCCN1CCC(CN2C[C@H](CN)OC2=O)C1
InChIInChI=1S/C11H21N3O2/c1-2-13-4-3-9(6-13)7-14-8-10(5-12)16-11(14)15/h9-10H,2-8,12H2,1H3/t9?,10-/m0/s1
InChIKeyQASOJECDZWOCNM-AXDSSHIGSA-N
MW227.31 g/mol
LogP0.11
Rot. Bonds4

About (5S)-5-(aminomethyl)-3-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazolidin-2-one

(5S)-5-(aminomethyl)-3-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 115056598) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is (5S)-5-(aminomethyl)-3-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(aminomethyl)-3-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID115056598
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name(5S)-5-(aminomethyl)-3-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazolidin-2-one
SMILESCCN1CCC(CN2C[C@H](CN)OC2=O)C1
InChIInChI=1S/C11H21N3O2/c1-2-13-4-3-9(6-13)7-14-8-10(5-12)16-11(14)15/h9-10H,2-8,12H2,1H3/t9?,10-/m0/s1
InChIKeyQASOJECDZWOCNM-AXDSSHIGSA-N
XLogP0.11
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(aminomethyl)-3-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(aminomethyl)-3-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazolidin-2-one (CID 115056598) is (5S)-5-(aminomethyl)-3-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(aminomethyl)-3-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(aminomethyl)-3-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazolidin-2-one is CCN1CCC(CN2C[C@H](CN)OC2=O)C1.
What is the InChIKey of (5S)-5-(aminomethyl)-3-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is QASOJECDZWOCNM-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-2-13-4-3-9(6-13)7-14-8-10(5-12)16-11(14)15/h9-10H,2-8,12H2,1H3/t9?,10-/m0/s1.
What are the key properties of (5S)-5-(aminomethyl)-3-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazolidin-2-one?
(5S)-5-(aminomethyl)-3-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 227.31 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(aminomethyl)-3-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 115056598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).