ethyl imidazolidine-2-carboxylate

C6H12N2O2 — CID 139988758

IUPACethyl imidazolidine-2-carboxylate
SMILESCCOC(=O)C1NCCN1
InChIInChI=1S/C6H12N2O2/c1-2-10-6(9)5-7-3-4-8-5/h5,7-8H,2-4H2,1H3
InChIKeyFEYYRUTYBOJFOE-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.93
Rot. Bonds2

About ethyl imidazolidine-2-carboxylate

ethyl imidazolidine-2-carboxylate (PubChem CID 139988758) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is ethyl imidazolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl imidazolidine-2-carboxylate
PubChem CID139988758
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Nameethyl imidazolidine-2-carboxylate
SMILESCCOC(=O)C1NCCN1
InChIInChI=1S/C6H12N2O2/c1-2-10-6(9)5-7-3-4-8-5/h5,7-8H,2-4H2,1H3
InChIKeyFEYYRUTYBOJFOE-UHFFFAOYSA-N
XLogP-0.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl imidazolidine-2-carboxylate?
The IUPAC name of ethyl imidazolidine-2-carboxylate (CID 139988758) is ethyl imidazolidine-2-carboxylate.
What is the SMILES notation for ethyl imidazolidine-2-carboxylate?
The canonical SMILES for ethyl imidazolidine-2-carboxylate is CCOC(=O)C1NCCN1.
What is the InChIKey of ethyl imidazolidine-2-carboxylate?
The InChIKey is FEYYRUTYBOJFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-2-10-6(9)5-7-3-4-8-5/h5,7-8H,2-4H2,1H3.
What are the key properties of ethyl imidazolidine-2-carboxylate?
ethyl imidazolidine-2-carboxylate has a molecular weight of 144.17 g/mol, XLogP of -0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl imidazolidine-2-carboxylate is sourced from PubChem (CID 139988758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).