2-O-(ethylamino) 1-O-methyl oxalate

C5H9NO4 — CID 121410359

IUPAC2-O-(ethylamino) 1-O-methyl oxalate
SMILESCCNOC(=O)C(=O)OC
InChIInChI=1S/C5H9NO4/c1-3-6-10-5(8)4(7)9-2/h6H,3H2,1-2H3
InChIKeyBJOXRNISQKMPJQ-UHFFFAOYSA-N
MW147.13 g/mol
LogP-0.77
Rot. Bonds2

About 2-O-(ethylamino) 1-O-methyl oxalate

2-O-(ethylamino) 1-O-methyl oxalate (PubChem CID 121410359) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is 2-O-(ethylamino) 1-O-methyl oxalate.

Molecular Properties

Compound Name2-O-(ethylamino) 1-O-methyl oxalate
PubChem CID121410359
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Name2-O-(ethylamino) 1-O-methyl oxalate
SMILESCCNOC(=O)C(=O)OC
InChIInChI=1S/C5H9NO4/c1-3-6-10-5(8)4(7)9-2/h6H,3H2,1-2H3
InChIKeyBJOXRNISQKMPJQ-UHFFFAOYSA-N
XLogP-0.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dimethyl oxalate
CID 11120
ethylamino 2-methylpent-2-enoate
CID 123727023
dimethyl oxalate;hydrochloride
CID 172754902
bis(ethylamino) (E)-but-2-enedioate
CID 174375026
bis(2-ethylhydrazinyl) oxalate
CID 57041396
methyl 2-methyliminobutanoate
CID 20717772
4-O-ethyl 1-O-methyl (E)-2-methylbut-2-enedioate
CID 15441035
ethylamino 4-methoxybenzoate
CID 87829629
hydron;methyl 2-methylidenebutanoate
CID 174760127
dimethyl 2,3-dipropylbut-2-enedioate
CID 86118404
CID 156594935
CID 156594935
methyl 2-methylidenebutanoate;propan-2-one
CID 174771904

Frequently Asked Questions

What is the IUPAC name of 2-O-(ethylamino) 1-O-methyl oxalate?
The IUPAC name of 2-O-(ethylamino) 1-O-methyl oxalate (CID 121410359) is 2-O-(ethylamino) 1-O-methyl oxalate.
What is the SMILES notation for 2-O-(ethylamino) 1-O-methyl oxalate?
The canonical SMILES for 2-O-(ethylamino) 1-O-methyl oxalate is CCNOC(=O)C(=O)OC.
What is the InChIKey of 2-O-(ethylamino) 1-O-methyl oxalate?
The InChIKey is BJOXRNISQKMPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4/c1-3-6-10-5(8)4(7)9-2/h6H,3H2,1-2H3.
What are the key properties of 2-O-(ethylamino) 1-O-methyl oxalate?
2-O-(ethylamino) 1-O-methyl oxalate has a molecular weight of 147.13 g/mol, XLogP of -0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-(ethylamino) 1-O-methyl oxalate is sourced from PubChem (CID 121410359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).