1-O-ethyl 2-O-[2-(2-methylprop-2-enoylamino)ethyl] oxalate

C10H15NO5 — CID 118147420

IUPAC1-O-ethyl 2-O-[2-(2-methylprop-2-enoylamino)ethyl] oxalate
SMILESC=C(C)C(=O)NCCOC(=O)C(=O)OCC
InChIInChI=1S/C10H15NO5/c1-4-15-9(13)10(14)16-6-5-11-8(12)7(2)3/h2,4-6H2,1,3H3,(H,11,12)
InChIKeyAZRSHTRYKGNWOM-UHFFFAOYSA-N
MW229.23 g/mol
LogP-0.22
Rot. Bonds5

About 1-O-ethyl 2-O-[2-(2-methylprop-2-enoylamino)ethyl] oxalate

1-O-ethyl 2-O-[2-(2-methylprop-2-enoylamino)ethyl] oxalate (PubChem CID 118147420) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is 1-O-ethyl 2-O-[2-(2-methylprop-2-enoylamino)ethyl] oxalate.

Molecular Properties

Compound Name1-O-ethyl 2-O-[2-(2-methylprop-2-enoylamino)ethyl] oxalate
PubChem CID118147420
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name1-O-ethyl 2-O-[2-(2-methylprop-2-enoylamino)ethyl] oxalate
SMILESC=C(C)C(=O)NCCOC(=O)C(=O)OCC
InChIInChI=1S/C10H15NO5/c1-4-15-9(13)10(14)16-6-5-11-8(12)7(2)3/h2,4-6H2,1,3H3,(H,11,12)
InChIKeyAZRSHTRYKGNWOM-UHFFFAOYSA-N
XLogP-0.22
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-buta-1,3-dien-2-yloxyethyl)-2-methylprop-2-enamide
CID 23525810
2-(2-methylprop-2-enoylamino)ethyl 2-hydroxypropanoate
CID 87093893
1-O-methyl 4-O-[2-(2-methylprop-2-enoylamino)ethyl] butanedioate
CID 88908253
2-[2-[2-(2-methylprop-2-enoyloxy)ethylamino]-2-oxoacetyl]oxyethyl 2,2-dimethylbutanoate
CID 58611640
ethyl 4-[2-(2-methylprop-2-enoylamino)ethylamino]-4-oxobutanoate
CID 138741807
ethyl 2-methylprop-2-enoate
CID 130475774
2-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate
CID 18000331
2-methyl-N-propylprop-2-enamide;hydrobromide
CID 172725706
2-methyl-N-propylprop-2-enamide;hydrochloride
CID 87485783
N-(3,3-difluoropropyl)-2-methylprop-2-enamide
CID 89332583
sodium ethyl 2-methylprop-2-enoate
CID 23346885
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289

Frequently Asked Questions

What is the IUPAC name of 1-O-ethyl 2-O-[2-(2-methylprop-2-enoylamino)ethyl] oxalate?
The IUPAC name of 1-O-ethyl 2-O-[2-(2-methylprop-2-enoylamino)ethyl] oxalate (CID 118147420) is 1-O-ethyl 2-O-[2-(2-methylprop-2-enoylamino)ethyl] oxalate.
What is the SMILES notation for 1-O-ethyl 2-O-[2-(2-methylprop-2-enoylamino)ethyl] oxalate?
The canonical SMILES for 1-O-ethyl 2-O-[2-(2-methylprop-2-enoylamino)ethyl] oxalate is C=C(C)C(=O)NCCOC(=O)C(=O)OCC.
What is the InChIKey of 1-O-ethyl 2-O-[2-(2-methylprop-2-enoylamino)ethyl] oxalate?
The InChIKey is AZRSHTRYKGNWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c1-4-15-9(13)10(14)16-6-5-11-8(12)7(2)3/h2,4-6H2,1,3H3,(H,11,12).
What are the key properties of 1-O-ethyl 2-O-[2-(2-methylprop-2-enoylamino)ethyl] oxalate?
1-O-ethyl 2-O-[2-(2-methylprop-2-enoylamino)ethyl] oxalate has a molecular weight of 229.23 g/mol, XLogP of -0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-ethyl 2-O-[2-(2-methylprop-2-enoylamino)ethyl] oxalate is sourced from PubChem (CID 118147420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).