(4S)-1-(2-ethoxy-2-oxoethyl)-2-oxoimidazolidine-4-carboxylic acid

C8H12N2O5 — CID 86690631

IUPAC(4S)-1-(2-ethoxy-2-oxoethyl)-2-oxoimidazolidine-4-carboxylic acid
SMILESCCOC(=O)CN1C[C@@H](C(=O)O)NC1=O
InChIInChI=1S/C8H12N2O5/c1-2-15-6(11)4-10-3-5(7(12)13)9-8(10)14/h5H,2-4H2,1H3,(H,9,14)(H,12,13)/t5-/m0/s1
InChIKeyDRBTWJZYCGSZIW-YFKPBYRVSA-N
MW216.19 g/mol
LogP-0.97
Rot. Bonds4

About (4S)-1-(2-ethoxy-2-oxoethyl)-2-oxoimidazolidine-4-carboxylic acid

(4S)-1-(2-ethoxy-2-oxoethyl)-2-oxoimidazolidine-4-carboxylic acid (PubChem CID 86690631) has the molecular formula C8H12N2O5 and a molecular weight of 216.19 g/mol. Its IUPAC name is (4S)-1-(2-ethoxy-2-oxoethyl)-2-oxoimidazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-1-(2-ethoxy-2-oxoethyl)-2-oxoimidazolidine-4-carboxylic acid
PubChem CID86690631
Molecular FormulaC8H12N2O5
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name(4S)-1-(2-ethoxy-2-oxoethyl)-2-oxoimidazolidine-4-carboxylic acid
SMILESCCOC(=O)CN1C[C@@H](C(=O)O)NC1=O
InChIInChI=1S/C8H12N2O5/c1-2-15-6(11)4-10-3-5(7(12)13)9-8(10)14/h5H,2-4H2,1H3,(H,9,14)(H,12,13)/t5-/m0/s1
InChIKeyDRBTWJZYCGSZIW-YFKPBYRVSA-N
XLogP-0.97
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-(2-ethoxy-2-oxoethyl)-2-oxoimidazolidine-4-carboxylic acid?
The IUPAC name of (4S)-1-(2-ethoxy-2-oxoethyl)-2-oxoimidazolidine-4-carboxylic acid (CID 86690631) is (4S)-1-(2-ethoxy-2-oxoethyl)-2-oxoimidazolidine-4-carboxylic acid.
What is the SMILES notation for (4S)-1-(2-ethoxy-2-oxoethyl)-2-oxoimidazolidine-4-carboxylic acid?
The canonical SMILES for (4S)-1-(2-ethoxy-2-oxoethyl)-2-oxoimidazolidine-4-carboxylic acid is CCOC(=O)CN1C[C@@H](C(=O)O)NC1=O.
What is the InChIKey of (4S)-1-(2-ethoxy-2-oxoethyl)-2-oxoimidazolidine-4-carboxylic acid?
The InChIKey is DRBTWJZYCGSZIW-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H12N2O5/c1-2-15-6(11)4-10-3-5(7(12)13)9-8(10)14/h5H,2-4H2,1H3,(H,9,14)(H,12,13)/t5-/m0/s1.
What are the key properties of (4S)-1-(2-ethoxy-2-oxoethyl)-2-oxoimidazolidine-4-carboxylic acid?
(4S)-1-(2-ethoxy-2-oxoethyl)-2-oxoimidazolidine-4-carboxylic acid has a molecular weight of 216.19 g/mol, XLogP of -0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(2-ethoxy-2-oxoethyl)-2-oxoimidazolidine-4-carboxylic acid is sourced from PubChem (CID 86690631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).