(3S)-3-ethoxycarbonyl-1,2-oxazolidine-2-carboxylic acid

C7H11NO5 — CID 57480020

IUPAC(3S)-3-ethoxycarbonyl-1,2-oxazolidine-2-carboxylic acid
SMILESCCOC(=O)[C@@H]1CCON1C(=O)O
InChIInChI=1S/C7H11NO5/c1-2-12-6(9)5-3-4-13-8(5)7(10)11/h5H,2-4H2,1H3,(H,10,11)/t5-/m0/s1
InChIKeySOJRYOLXNZCLBY-YFKPBYRVSA-N
MW189.17 g/mol
LogP0.23
Rot. Bonds2

About (3S)-3-ethoxycarbonyl-1,2-oxazolidine-2-carboxylic acid

(3S)-3-ethoxycarbonyl-1,2-oxazolidine-2-carboxylic acid (PubChem CID 57480020) has the molecular formula C7H11NO5 and a molecular weight of 189.17 g/mol. Its IUPAC name is (3S)-3-ethoxycarbonyl-1,2-oxazolidine-2-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-ethoxycarbonyl-1,2-oxazolidine-2-carboxylic acid
PubChem CID57480020
Molecular FormulaC7H11NO5
Molecular Weight189.17 g/mol
Exact Mass189.06
IUPAC Name(3S)-3-ethoxycarbonyl-1,2-oxazolidine-2-carboxylic acid
SMILESCCOC(=O)[C@@H]1CCON1C(=O)O
InChIInChI=1S/C7H11NO5/c1-2-12-6(9)5-3-4-13-8(5)7(10)11/h5H,2-4H2,1H3,(H,10,11)/t5-/m0/s1
InChIKeySOJRYOLXNZCLBY-YFKPBYRVSA-N
XLogP0.23
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethoxycarbonyl-1,2-oxazolidine-2-carboxylic acid?
The IUPAC name of (3S)-3-ethoxycarbonyl-1,2-oxazolidine-2-carboxylic acid (CID 57480020) is (3S)-3-ethoxycarbonyl-1,2-oxazolidine-2-carboxylic acid.
What is the SMILES notation for (3S)-3-ethoxycarbonyl-1,2-oxazolidine-2-carboxylic acid?
The canonical SMILES for (3S)-3-ethoxycarbonyl-1,2-oxazolidine-2-carboxylic acid is CCOC(=O)[C@@H]1CCON1C(=O)O.
What is the InChIKey of (3S)-3-ethoxycarbonyl-1,2-oxazolidine-2-carboxylic acid?
The InChIKey is SOJRYOLXNZCLBY-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11NO5/c1-2-12-6(9)5-3-4-13-8(5)7(10)11/h5H,2-4H2,1H3,(H,10,11)/t5-/m0/s1.
What are the key properties of (3S)-3-ethoxycarbonyl-1,2-oxazolidine-2-carboxylic acid?
(3S)-3-ethoxycarbonyl-1,2-oxazolidine-2-carboxylic acid has a molecular weight of 189.17 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethoxycarbonyl-1,2-oxazolidine-2-carboxylic acid is sourced from PubChem (CID 57480020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).