[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] acetate

C9H15NO4 — CID 531941

IUPAC[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] acetate
SMILESCC(=O)OCC(=O)NCC1CCCO1
InChIInChI=1S/C9H15NO4/c1-7(11)14-6-9(12)10-5-8-3-2-4-13-8/h8H,2-6H2,1H3,(H,10,12)
InChIKeyGJFZUCJSIGKETI-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.16
Rot. Bonds4

About [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] acetate

[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] acetate (PubChem CID 531941) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] acetate.

Molecular Properties

Compound Name[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] acetate
PubChem CID531941
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] acetate
SMILESCC(=O)OCC(=O)NCC1CCCO1
InChIInChI=1S/C9H15NO4/c1-7(11)14-6-9(12)10-5-8-3-2-4-13-8/h8H,2-6H2,1H3,(H,10,12)
InChIKeyGJFZUCJSIGKETI-UHFFFAOYSA-N
XLogP-0.16
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)acetic acid
CID 4769742
n-(Tetrahydrofuran-2-ylmethyl)acetamide
CID 263164
Acetamide, N-tetrahydrofurfuryl-2-methoxy-
CID 532079
3-(Oxolan-2-ylformamido)propanoic acid
CID 16228277
Methyl 3-(oxolan-2-ylformamido)propanoate
CID 60636005
tert-butyl 2-[[(2S)-oxolane-2-carbonyl]amino]acetate
CID 96494977
N-Propyltetrahydrofuran-2-carboxamide
CID 4054933
Methyl 3-oxo-3-(oxolan-2-ylmethylamino)propanoate
CID 112464691
N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 45823282
N-[[(2R)-oxolan-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 93617646
N-[[(2S)-oxolan-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 93617647
{2-Oxo-2-[(tetrahydrofuran-2-ylmethyl)amino]ethoxy}acetic acid
CID 16473432

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] acetate?
The IUPAC name of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] acetate (CID 531941) is [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] acetate.
What is the SMILES notation for [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] acetate?
The canonical SMILES for [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] acetate is CC(=O)OCC(=O)NCC1CCCO1.
What is the InChIKey of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] acetate?
The InChIKey is GJFZUCJSIGKETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-7(11)14-6-9(12)10-5-8-3-2-4-13-8/h8H,2-6H2,1H3,(H,10,12).
What are the key properties of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] acetate?
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] acetate has a molecular weight of 201.22 g/mol, XLogP of -0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] acetate is sourced from PubChem (CID 531941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).