(4S)-2-(2-methoxyethyl)-3-oxo-1,2-oxazolidine-4-carboxamide

C7H12N2O4 — CID 67498673

IUPAC(4S)-2-(2-methoxyethyl)-3-oxo-1,2-oxazolidine-4-carboxamide
SMILESCOCCN1OC[C@@H](C(N)=O)C1=O
InChIInChI=1S/C7H12N2O4/c1-12-3-2-9-7(11)5(4-13-9)6(8)10/h5H,2-4H2,1H3,(H2,8,10)/t5-/m0/s1
InChIKeyQOIZWAWXPMGPMJ-YFKPBYRVSA-N
MW188.18 g/mol
LogP-1.49
Rot. Bonds4

About (4S)-2-(2-methoxyethyl)-3-oxo-1,2-oxazolidine-4-carboxamide

(4S)-2-(2-methoxyethyl)-3-oxo-1,2-oxazolidine-4-carboxamide (PubChem CID 67498673) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is (4S)-2-(2-methoxyethyl)-3-oxo-1,2-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-2-(2-methoxyethyl)-3-oxo-1,2-oxazolidine-4-carboxamide
PubChem CID67498673
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name(4S)-2-(2-methoxyethyl)-3-oxo-1,2-oxazolidine-4-carboxamide
SMILESCOCCN1OC[C@@H](C(N)=O)C1=O
InChIInChI=1S/C7H12N2O4/c1-12-3-2-9-7(11)5(4-13-9)6(8)10/h5H,2-4H2,1H3,(H2,8,10)/t5-/m0/s1
InChIKeyQOIZWAWXPMGPMJ-YFKPBYRVSA-N
XLogP-1.49
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-1.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-(2-methoxyethyl)-3-oxo-1,2-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-2-(2-methoxyethyl)-3-oxo-1,2-oxazolidine-4-carboxamide (CID 67498673) is (4S)-2-(2-methoxyethyl)-3-oxo-1,2-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-2-(2-methoxyethyl)-3-oxo-1,2-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-2-(2-methoxyethyl)-3-oxo-1,2-oxazolidine-4-carboxamide is COCCN1OC[C@@H](C(N)=O)C1=O.
What is the InChIKey of (4S)-2-(2-methoxyethyl)-3-oxo-1,2-oxazolidine-4-carboxamide?
The InChIKey is QOIZWAWXPMGPMJ-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H12N2O4/c1-12-3-2-9-7(11)5(4-13-9)6(8)10/h5H,2-4H2,1H3,(H2,8,10)/t5-/m0/s1.
What are the key properties of (4S)-2-(2-methoxyethyl)-3-oxo-1,2-oxazolidine-4-carboxamide?
(4S)-2-(2-methoxyethyl)-3-oxo-1,2-oxazolidine-4-carboxamide has a molecular weight of 188.18 g/mol, XLogP of -1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(2-methoxyethyl)-3-oxo-1,2-oxazolidine-4-carboxamide is sourced from PubChem (CID 67498673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).