ethyl 1-(2-methoxyethyl)aziridine-2-carboxylate

C8H15NO3 — CID 102511677

IUPACethyl 1-(2-methoxyethyl)aziridine-2-carboxylate
SMILESCCOC(=O)C1CN1CCOC
InChIInChI=1S/C8H15NO3/c1-3-12-8(10)7-6-9(7)4-5-11-2/h7H,3-6H2,1-2H3
InChIKeyOBCWBGNCTUETHF-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.12
Rot. Bonds5

About ethyl 1-(2-methoxyethyl)aziridine-2-carboxylate

ethyl 1-(2-methoxyethyl)aziridine-2-carboxylate (PubChem CID 102511677) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is ethyl 1-(2-methoxyethyl)aziridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methoxyethyl)aziridine-2-carboxylate
PubChem CID102511677
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameethyl 1-(2-methoxyethyl)aziridine-2-carboxylate
SMILESCCOC(=O)C1CN1CCOC
InChIInChI=1S/C8H15NO3/c1-3-12-8(10)7-6-9(7)4-5-11-2/h7H,3-6H2,1-2H3
InChIKeyOBCWBGNCTUETHF-UHFFFAOYSA-N
XLogP-0.12
TPSA38.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

ethyl (2R)-1-(3-methoxy-3-oxopropyl)aziridine-2-carboxylate
CID 2053588
ethyl 1-(2-ethoxy-2-oxoethyl)aziridine-2-carboxylate
CID 2851731
ethyl 1-(2-methoxyethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate
CID 175559350
ethyl 4-amino-1-methylpyrrolidine-2-carboxylate
CID 20763173
diethyl (2R,5S)-1-methylpyrrolidine-2,5-dicarboxylate
CID 13279466
ethyl 1-(2-ethoxyethyl)pyrrolidine-2-carboxylate
CID 62028361
ethyl 1-[2-(trimethylsilylmethyl)prop-2-enyl]aziridine-2-carboxylate
CID 135041495
ethyl 1-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-2-carboxylate
CID 118992889
ethyl (4S)-4-ethyl-1-(2-methoxyethyl)-4-methylpyrrolidine-3-carboxylate
CID 145013367
ethyl 1-(pyridin-4-ylmethyl)aziridine-2-carboxylate
CID 117009967
ethyl 4-(2-methoxyethyl)-3,5-dimethylpiperazine-1-carboxylate
CID 110290231
ethyl 4-(2-methoxyethyl)-5,6-dioxopiperazine-2-carboxylate
CID 119053586

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methoxyethyl)aziridine-2-carboxylate?
The IUPAC name of ethyl 1-(2-methoxyethyl)aziridine-2-carboxylate (CID 102511677) is ethyl 1-(2-methoxyethyl)aziridine-2-carboxylate.
What is the SMILES notation for ethyl 1-(2-methoxyethyl)aziridine-2-carboxylate?
The canonical SMILES for ethyl 1-(2-methoxyethyl)aziridine-2-carboxylate is CCOC(=O)C1CN1CCOC.
What is the InChIKey of ethyl 1-(2-methoxyethyl)aziridine-2-carboxylate?
The InChIKey is OBCWBGNCTUETHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-3-12-8(10)7-6-9(7)4-5-11-2/h7H,3-6H2,1-2H3.
What are the key properties of ethyl 1-(2-methoxyethyl)aziridine-2-carboxylate?
ethyl 1-(2-methoxyethyl)aziridine-2-carboxylate has a molecular weight of 173.21 g/mol, XLogP of -0.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methoxyethyl)aziridine-2-carboxylate is sourced from PubChem (CID 102511677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).