(2R,3S)-3-ethoxy-5-oxooxolane-2-carboxamide

C7H11NO4 — CID 68539806

IUPAC(2R,3S)-3-ethoxy-5-oxooxolane-2-carboxamide
SMILESCCO[C@H]1CC(=O)O[C@H]1C(N)=O
InChIInChI=1S/C7H11NO4/c1-2-11-4-3-5(9)12-6(4)7(8)10/h4,6H,2-3H2,1H3,(H2,8,10)/t4-,6+/m0/s1
InChIKeyDTWJCPOFEHXSDQ-UJURSFKZSA-N
MW173.17 g/mol
LogP-0.81
Rot. Bonds3

About (2R,3S)-3-ethoxy-5-oxooxolane-2-carboxamide

(2R,3S)-3-ethoxy-5-oxooxolane-2-carboxamide (PubChem CID 68539806) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is (2R,3S)-3-ethoxy-5-oxooxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-3-ethoxy-5-oxooxolane-2-carboxamide
PubChem CID68539806
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name(2R,3S)-3-ethoxy-5-oxooxolane-2-carboxamide
SMILESCCO[C@H]1CC(=O)O[C@H]1C(N)=O
InChIInChI=1S/C7H11NO4/c1-2-11-4-3-5(9)12-6(4)7(8)10/h4,6H,2-3H2,1H3,(H2,8,10)/t4-,6+/m0/s1
InChIKeyDTWJCPOFEHXSDQ-UJURSFKZSA-N
XLogP-0.81
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-ethoxy-5-oxooxolane-2-carboxamide?
The IUPAC name of (2R,3S)-3-ethoxy-5-oxooxolane-2-carboxamide (CID 68539806) is (2R,3S)-3-ethoxy-5-oxooxolane-2-carboxamide.
What is the SMILES notation for (2R,3S)-3-ethoxy-5-oxooxolane-2-carboxamide?
The canonical SMILES for (2R,3S)-3-ethoxy-5-oxooxolane-2-carboxamide is CCO[C@H]1CC(=O)O[C@H]1C(N)=O.
What is the InChIKey of (2R,3S)-3-ethoxy-5-oxooxolane-2-carboxamide?
The InChIKey is DTWJCPOFEHXSDQ-UJURSFKZSA-N. The full InChI is InChI=1S/C7H11NO4/c1-2-11-4-3-5(9)12-6(4)7(8)10/h4,6H,2-3H2,1H3,(H2,8,10)/t4-,6+/m0/s1.
What are the key properties of (2R,3S)-3-ethoxy-5-oxooxolane-2-carboxamide?
(2R,3S)-3-ethoxy-5-oxooxolane-2-carboxamide has a molecular weight of 173.17 g/mol, XLogP of -0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-ethoxy-5-oxooxolane-2-carboxamide is sourced from PubChem (CID 68539806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).