(5S)-5-[(1S)-1-aminoethyl]oxolan-2-one

C6H11NO2 — CID 130757519

IUPAC(5S)-5-[(1S)-1-aminoethyl]oxolan-2-one
SMILESC[C@H](N)[C@@H]1CCC(=O)O1
InChIInChI=1S/C6H11NO2/c1-4(7)5-2-3-6(8)9-5/h4-5H,2-3,7H2,1H3/t4-,5-/m0/s1
InChIKeyIVUZRRZOSVJVSN-WHFBIAKZSA-N
MW129.16 g/mol
LogP0.04
Rot. Bonds1

About (5S)-5-[(1S)-1-aminoethyl]oxolan-2-one

(5S)-5-[(1S)-1-aminoethyl]oxolan-2-one (PubChem CID 130757519) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (5S)-5-[(1S)-1-aminoethyl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[(1S)-1-aminoethyl]oxolan-2-one
PubChem CID130757519
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(5S)-5-[(1S)-1-aminoethyl]oxolan-2-one
SMILESC[C@H](N)[C@@H]1CCC(=O)O1
InChIInChI=1S/C6H11NO2/c1-4(7)5-2-3-6(8)9-5/h4-5H,2-3,7H2,1H3/t4-,5-/m0/s1
InChIKeyIVUZRRZOSVJVSN-WHFBIAKZSA-N
XLogP0.04
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Aminomethyl)dihydrofuran-2(3H)-one
CID 9855462
Methyl 2-amino-2-(oxolan-2-yl)acetate hydrochloride
CID 165945300
(5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]oxolan-2-one
CID 130982547
l-4-Hydroxylysine lactone
CID 550918
(R)-5-[(S)-Azidoethyl]-butyrolactone
CID 10654455
(r,s)-alpha-Amino-gamma-caprolactone hydrochloride
CID 129880747
5-(1-Amino-2,2-difluoroethyl)oxolan-2-one
CID 129996197
5-(1-Amino-2,2,2-trifluoroethyl)-4-methyloxolan-2-one
CID 129996200
(4R,5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-methyloxolan-2-one
CID 130984888
(5S)-5-[(1S)-1-amino-2,2-difluoroethyl]oxolan-2-one
CID 131214130
threo-4-Hydroxy-l-lysine lactone
CID 91695432
(5S)-5-(aminomethyl)oxolan-2-one
CID 10011873

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(1S)-1-aminoethyl]oxolan-2-one?
The IUPAC name of (5S)-5-[(1S)-1-aminoethyl]oxolan-2-one (CID 130757519) is (5S)-5-[(1S)-1-aminoethyl]oxolan-2-one.
What is the SMILES notation for (5S)-5-[(1S)-1-aminoethyl]oxolan-2-one?
The canonical SMILES for (5S)-5-[(1S)-1-aminoethyl]oxolan-2-one is C[C@H](N)[C@@H]1CCC(=O)O1.
What is the InChIKey of (5S)-5-[(1S)-1-aminoethyl]oxolan-2-one?
The InChIKey is IVUZRRZOSVJVSN-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4(7)5-2-3-6(8)9-5/h4-5H,2-3,7H2,1H3/t4-,5-/m0/s1.
What are the key properties of (5S)-5-[(1S)-1-aminoethyl]oxolan-2-one?
(5S)-5-[(1S)-1-aminoethyl]oxolan-2-one has a molecular weight of 129.16 g/mol, XLogP of 0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(1S)-1-aminoethyl]oxolan-2-one is sourced from PubChem (CID 130757519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).