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

C10H19N3O2 — CID 115056557

IUPAC(5S)-5-(aminomethyl)-3-(1-ethylpyrrolidin-3-yl)-1,3-oxazolidin-2-one
SMILESCCN1CCC(N2C[C@H](CN)OC2=O)C1
InChIInChI=1S/C10H19N3O2/c1-2-12-4-3-8(6-12)13-7-9(5-11)15-10(13)14/h8-9H,2-7,11H2,1H3/t8?,9-/m0/s1
InChIKeyYISUEIYYGXWIBJ-GKAPJAKFSA-N
MW213.28 g/mol
LogP-0.14
Rot. Bonds3

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

(5S)-5-(aminomethyl)-3-(1-ethylpyrrolidin-3-yl)-1,3-oxazolidin-2-one (PubChem CID 115056557) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is (5S)-5-(aminomethyl)-3-(1-ethylpyrrolidin-3-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(aminomethyl)-3-(1-ethylpyrrolidin-3-yl)-1,3-oxazolidin-2-one
PubChem CID115056557
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name(5S)-5-(aminomethyl)-3-(1-ethylpyrrolidin-3-yl)-1,3-oxazolidin-2-one
SMILESCCN1CCC(N2C[C@H](CN)OC2=O)C1
InChIInChI=1S/C10H19N3O2/c1-2-12-4-3-8(6-12)13-7-9(5-11)15-10(13)14/h8-9H,2-7,11H2,1H3/t8?,9-/m0/s1
InChIKeyYISUEIYYGXWIBJ-GKAPJAKFSA-N
XLogP-0.14
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-(aminomethyl)-3-(1-methylpiperidin-3-yl)-1,3-oxazolidin-2-one
CID 115056639
(5S)-5-(aminomethyl)-3-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazolidin-2-one
CID 115056598
(5S)-5-(aminomethyl)-3-(1-ethylpyrrolidin-2-yl)-1,3-oxazolidin-2-one
CID 115056661
(5R)-5-(hydroxymethyl)-3-(1-methylpiperidin-4-yl)-1,3-oxazolidin-2-one
CID 115056583
5-(aminomethyl)-3-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 71758299
(5R)-5-(hydroxymethyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one
CID 115056585
5-(aminomethyl)-3-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]-1,3-oxazolidin-2-one
CID 69318976
6-(aminomethyl)-4-(1-methylpiperidin-4-yl)morpholin-3-one
CID 115102895
N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]ethanesulfonamide
CID 110315632
tert-butyl 4-[6-(aminomethyl)-2-oxo-1,3-oxazinan-3-yl]piperidine-1-carboxylate
CID 117274618
3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 90189648
5-(aminomethyl)-3-heptyl-1,3-oxazolidin-2-one
CID 112594228

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(aminomethyl)-3-(1-ethylpyrrolidin-3-yl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(aminomethyl)-3-(1-ethylpyrrolidin-3-yl)-1,3-oxazolidin-2-one (CID 115056557) is (5S)-5-(aminomethyl)-3-(1-ethylpyrrolidin-3-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(aminomethyl)-3-(1-ethylpyrrolidin-3-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(aminomethyl)-3-(1-ethylpyrrolidin-3-yl)-1,3-oxazolidin-2-one is CCN1CCC(N2C[C@H](CN)OC2=O)C1.
What is the InChIKey of (5S)-5-(aminomethyl)-3-(1-ethylpyrrolidin-3-yl)-1,3-oxazolidin-2-one?
The InChIKey is YISUEIYYGXWIBJ-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-2-12-4-3-8(6-12)13-7-9(5-11)15-10(13)14/h8-9H,2-7,11H2,1H3/t8?,9-/m0/s1.
What are the key properties of (5S)-5-(aminomethyl)-3-(1-ethylpyrrolidin-3-yl)-1,3-oxazolidin-2-one?
(5S)-5-(aminomethyl)-3-(1-ethylpyrrolidin-3-yl)-1,3-oxazolidin-2-one has a molecular weight of 213.28 g/mol, XLogP of -0.14, 3 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)-1,3-oxazolidin-2-one is sourced from PubChem (CID 115056557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).