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

C10H19N3O2 — CID 115056661

IUPAC(5S)-5-(aminomethyl)-3-(1-ethylpyrrolidin-2-yl)-1,3-oxazolidin-2-one
SMILESCCN1CCCC1N1C[C@H](CN)OC1=O
InChIInChI=1S/C10H19N3O2/c1-2-12-5-3-4-9(12)13-7-8(6-11)15-10(13)14/h8-9H,2-7,11H2,1H3/t8-,9?/m0/s1
InChIKeyZLHXZNPOMQZWKR-IENPIDJESA-N
MW213.28 g/mol
LogP0.21
Rot. Bonds3

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

(5S)-5-(aminomethyl)-3-(1-ethylpyrrolidin-2-yl)-1,3-oxazolidin-2-one (PubChem CID 115056661) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is (5S)-5-(aminomethyl)-3-(1-ethylpyrrolidin-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(aminomethyl)-3-(1-ethylpyrrolidin-2-yl)-1,3-oxazolidin-2-one
PubChem CID115056661
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name(5S)-5-(aminomethyl)-3-(1-ethylpyrrolidin-2-yl)-1,3-oxazolidin-2-one
SMILESCCN1CCCC1N1C[C@H](CN)OC1=O
InChIInChI=1S/C10H19N3O2/c1-2-12-5-3-4-9(12)13-7-8(6-11)15-10(13)14/h8-9H,2-7,11H2,1H3/t8-,9?/m0/s1
InChIKeyZLHXZNPOMQZWKR-IENPIDJESA-N
XLogP0.21
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 ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-(aminomethyl)-3-(1-ethylpyrrolidin-3-yl)-1,3-oxazolidin-2-one
CID 115056557
(5S)-5-(aminomethyl)-3-(1-methylpiperidin-3-yl)-1,3-oxazolidin-2-one
CID 115056639
5-(aminomethyl)-3-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 71758299
(5S)-5-(aminomethyl)-3-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazolidin-2-one
CID 115056598
(5R)-3-[(1-ethylpyrrolidin-2-yl)methyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 115056709
5-(aminomethyl)-3-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]-1,3-oxazolidin-2-one
CID 69318976
6-(aminomethyl)-4-(1-methylpiperidin-2-yl)morpholin-3-one
CID 115102999
5-(aminomethyl)-3-[(1-methylsulfonylpiperidin-3-yl)methyl]-1,3-oxazolidin-2-one
CID 112594219
ethane;(1-ethylpyrrolidin-2-yl)methanamine
CID 142961136
[(2R)-1-ethylpyrrolidin-2-yl]methanamine;hydrochloride
CID 46738121
5-(aminomethyl)-3-dodecyl-1,3-oxazolidin-2-one
CID 115944261
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-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(aminomethyl)-3-(1-ethylpyrrolidin-2-yl)-1,3-oxazolidin-2-one (CID 115056661) is (5S)-5-(aminomethyl)-3-(1-ethylpyrrolidin-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(aminomethyl)-3-(1-ethylpyrrolidin-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(aminomethyl)-3-(1-ethylpyrrolidin-2-yl)-1,3-oxazolidin-2-one is CCN1CCCC1N1C[C@H](CN)OC1=O.
What is the InChIKey of (5S)-5-(aminomethyl)-3-(1-ethylpyrrolidin-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is ZLHXZNPOMQZWKR-IENPIDJESA-N. The full InChI is InChI=1S/C10H19N3O2/c1-2-12-5-3-4-9(12)13-7-8(6-11)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-2-yl)-1,3-oxazolidin-2-one?
(5S)-5-(aminomethyl)-3-(1-ethylpyrrolidin-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 213.28 g/mol, XLogP of 0.21, 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-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 115056661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).