ethyl 2-oxo-2-[1-(oxolan-2-yl)ethylamino]acetate

C10H17NO4 — CID 60895927

IUPACethyl 2-oxo-2-[1-(oxolan-2-yl)ethylamino]acetate
SMILESCCOC(=O)C(=O)NC(C)C1CCCO1
InChIInChI=1S/C10H17NO4/c1-3-14-10(13)9(12)11-7(2)8-5-4-6-15-8/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeySAFILLWYFLOKQX-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.23
Rot. Bonds3

About ethyl 2-oxo-2-[1-(oxolan-2-yl)ethylamino]acetate

ethyl 2-oxo-2-[1-(oxolan-2-yl)ethylamino]acetate (PubChem CID 60895927) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is ethyl 2-oxo-2-[1-(oxolan-2-yl)ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-[1-(oxolan-2-yl)ethylamino]acetate
PubChem CID60895927
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Nameethyl 2-oxo-2-[1-(oxolan-2-yl)ethylamino]acetate
SMILESCCOC(=O)C(=O)NC(C)C1CCCO1
InChIInChI=1S/C10H17NO4/c1-3-14-10(13)9(12)11-7(2)8-5-4-6-15-8/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeySAFILLWYFLOKQX-UHFFFAOYSA-N
XLogP0.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-2-amino-3-methyl-N-[1-(oxolan-2-yl)ethyl]pentanamide
CID 61155055
N-[1-(oxolan-2-yl)ethyl]cyclopropanecarboxamide
CID 17330465
(1S,2S,3R,4R)-3-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate
CID 11895760
4-amino-2-methyl-N-[1-(oxolan-2-yl)ethyl]butanamide
CID 80542445
(1S,2S,3R,4R)-3-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 11895759
9-amino-N-[1-(oxolan-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985199
2,2-dimethyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 29038214
2-amino-N-[1-(oxolan-2-yl)ethyl]butanediamide
CID 60848182
1-(oxolan-2-yl)ethylthiourea
CID 43533883
2-hydroxy-N-[1-(oxan-2-yl)ethyl]acetamide
CID 130749825
ethyl 3-hydroxy-3-(oxolan-2-yl)propanoate
CID 82837463
2-hydroxy-2-methyl-N-[1-(oxolan-2-yl)ethyl]propanamide
CID 104936605

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-[1-(oxolan-2-yl)ethylamino]acetate?
The IUPAC name of ethyl 2-oxo-2-[1-(oxolan-2-yl)ethylamino]acetate (CID 60895927) is ethyl 2-oxo-2-[1-(oxolan-2-yl)ethylamino]acetate.
What is the SMILES notation for ethyl 2-oxo-2-[1-(oxolan-2-yl)ethylamino]acetate?
The canonical SMILES for ethyl 2-oxo-2-[1-(oxolan-2-yl)ethylamino]acetate is CCOC(=O)C(=O)NC(C)C1CCCO1.
What is the InChIKey of ethyl 2-oxo-2-[1-(oxolan-2-yl)ethylamino]acetate?
The InChIKey is SAFILLWYFLOKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-3-14-10(13)9(12)11-7(2)8-5-4-6-15-8/h7-8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of ethyl 2-oxo-2-[1-(oxolan-2-yl)ethylamino]acetate?
ethyl 2-oxo-2-[1-(oxolan-2-yl)ethylamino]acetate has a molecular weight of 215.25 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-[1-(oxolan-2-yl)ethylamino]acetate is sourced from PubChem (CID 60895927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).