2-ethyl-1,2-oxazolidine-3,4-dicarboxylic acid

C7H11NO5 — CID 142128556

IUPAC2-ethyl-1,2-oxazolidine-3,4-dicarboxylic acid
SMILESCCN1OCC(C(=O)O)C1C(=O)O
InChIInChI=1S/C7H11NO5/c1-2-8-5(7(11)12)4(3-13-8)6(9)10/h4-5H,2-3H2,1H3,(H,9,10)(H,11,12)
InChIKeyVQIVUTPKUVQQJK-UHFFFAOYSA-N
MW189.17 g/mol
LogP-0.59
Rot. Bonds3

About 2-ethyl-1,2-oxazolidine-3,4-dicarboxylic acid

2-ethyl-1,2-oxazolidine-3,4-dicarboxylic acid (PubChem CID 142128556) has the molecular formula C7H11NO5 and a molecular weight of 189.17 g/mol. Its IUPAC name is 2-ethyl-1,2-oxazolidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name2-ethyl-1,2-oxazolidine-3,4-dicarboxylic acid
PubChem CID142128556
Molecular FormulaC7H11NO5
Molecular Weight189.17 g/mol
Exact Mass189.06
IUPAC Name2-ethyl-1,2-oxazolidine-3,4-dicarboxylic acid
SMILESCCN1OCC(C(=O)O)C1C(=O)O
InChIInChI=1S/C7H11NO5/c1-2-8-5(7(11)12)4(3-13-8)6(9)10/h4-5H,2-3H2,1H3,(H,9,10)(H,11,12)
InChIKeyVQIVUTPKUVQQJK-UHFFFAOYSA-N
XLogP-0.59
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane-6-carboxylic acid
CID 105434698
(3S,4R)-oxolane-3,4-dicarboxylic acid
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(2R,3S)-3-methylaziridine-1,2-dicarboxylic acid
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4-methyloxolane-3-carboxylic acid
CID 83669962
(2R,3S)-1-ethyl-5-oxo-2-propan-2-ylpyrrolidine-3-carboxylic acid
CID 82397843
3-methyl-1-propanoylpyrrolidine-2-carboxylic acid
CID 102775238
(2S,3S)-3-methyl-1-propanoylpyrrolidine-2-carboxylic acid
CID 130192166
2-propanoylcyclopropane-1-carboxylic acid
CID 68524876
(2S)-2-methylcyclopropane-1-carboxylic acid
CID 70278837
trans-(1R,2R)-2-methylcyclopropane-1-carboxylic acid
CID 6995705
piperazine-1,2,3,4-tetracarboxylic acid
CID 167313718
(2S,3R)-2-ethyloxolane-3-carboxylic acid
CID 97048145

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,2-oxazolidine-3,4-dicarboxylic acid?
The IUPAC name of 2-ethyl-1,2-oxazolidine-3,4-dicarboxylic acid (CID 142128556) is 2-ethyl-1,2-oxazolidine-3,4-dicarboxylic acid.
What is the SMILES notation for 2-ethyl-1,2-oxazolidine-3,4-dicarboxylic acid?
The canonical SMILES for 2-ethyl-1,2-oxazolidine-3,4-dicarboxylic acid is CCN1OCC(C(=O)O)C1C(=O)O.
What is the InChIKey of 2-ethyl-1,2-oxazolidine-3,4-dicarboxylic acid?
The InChIKey is VQIVUTPKUVQQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO5/c1-2-8-5(7(11)12)4(3-13-8)6(9)10/h4-5H,2-3H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-ethyl-1,2-oxazolidine-3,4-dicarboxylic acid?
2-ethyl-1,2-oxazolidine-3,4-dicarboxylic acid has a molecular weight of 189.17 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,2-oxazolidine-3,4-dicarboxylic acid is sourced from PubChem (CID 142128556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).