5-(1-aminoethyl)-3-methyloxolan-2-one

C7H13NO2 — CID 20726918

IUPAC5-(1-aminoethyl)-3-methyloxolan-2-one
SMILESCC1CC(C(C)N)OC1=O
InChIInChI=1S/C7H13NO2/c1-4-3-6(5(2)8)10-7(4)9/h4-6H,3,8H2,1-2H3
InChIKeyARSQXKVKQKDXEQ-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.29
Rot. Bonds1

About 5-(1-aminoethyl)-3-methyloxolan-2-one

5-(1-aminoethyl)-3-methyloxolan-2-one (PubChem CID 20726918) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 5-(1-aminoethyl)-3-methyloxolan-2-one.

Molecular Properties

Compound Name5-(1-aminoethyl)-3-methyloxolan-2-one
PubChem CID20726918
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name5-(1-aminoethyl)-3-methyloxolan-2-one
SMILESCC1CC(C(C)N)OC1=O
InChIInChI=1S/C7H13NO2/c1-4-3-6(5(2)8)10-7(4)9/h4-6H,3,8H2,1-2H3
InChIKeyARSQXKVKQKDXEQ-UHFFFAOYSA-N
XLogP0.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]oxolan-2-one
CID 130982547
4-Aminomethyl-3-methyl-4-butanolide
CID 129783988
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
5-(1-Amino-3-methylbutyl)-3-propan-2-yloxolan-2-one
CID 20726917
5-(1-Aminoethyl)oxolan-2-one
CID 55289249
(3R,5S)-3-methyl-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one
CID 58714848
(3R,5R)-3-methyl-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one
CID 58714916
3-Methyl-5-[1-(methylamino)ethyl]oxolan-2-one
CID 59877196
(3R)-5-(1-azidoethyl)-3-methyloxolan-2-one
CID 59881759

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-3-methyloxolan-2-one?
The IUPAC name of 5-(1-aminoethyl)-3-methyloxolan-2-one (CID 20726918) is 5-(1-aminoethyl)-3-methyloxolan-2-one.
What is the SMILES notation for 5-(1-aminoethyl)-3-methyloxolan-2-one?
The canonical SMILES for 5-(1-aminoethyl)-3-methyloxolan-2-one is CC1CC(C(C)N)OC1=O.
What is the InChIKey of 5-(1-aminoethyl)-3-methyloxolan-2-one?
The InChIKey is ARSQXKVKQKDXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-3-6(5(2)8)10-7(4)9/h4-6H,3,8H2,1-2H3.
What are the key properties of 5-(1-aminoethyl)-3-methyloxolan-2-one?
5-(1-aminoethyl)-3-methyloxolan-2-one has a molecular weight of 143.19 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-3-methyloxolan-2-one is sourced from PubChem (CID 20726918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).