2-[1-(2-ethyl-2-methyl-1,3-oxazolidin-3-yl)ethyl]propanedioic acid

C11H19NO5 — CID 175359057

IUPAC2-[1-(2-ethyl-2-methyl-1,3-oxazolidin-3-yl)ethyl]propanedioic acid
SMILESCCC1(C)OCCN1C(C)C(C(=O)O)C(=O)O
InChIInChI=1S/C11H19NO5/c1-4-11(3)12(5-6-17-11)7(2)8(9(13)14)10(15)16/h7-8H,4-6H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyQQTLXEHQWFFRLM-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.62
Rot. Bonds5

About 2-[1-(2-ethyl-2-methyl-1,3-oxazolidin-3-yl)ethyl]propanedioic acid

2-[1-(2-ethyl-2-methyl-1,3-oxazolidin-3-yl)ethyl]propanedioic acid (PubChem CID 175359057) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-[1-(2-ethyl-2-methyl-1,3-oxazolidin-3-yl)ethyl]propanedioic acid.

Molecular Properties

Compound Name2-[1-(2-ethyl-2-methyl-1,3-oxazolidin-3-yl)ethyl]propanedioic acid
PubChem CID175359057
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name2-[1-(2-ethyl-2-methyl-1,3-oxazolidin-3-yl)ethyl]propanedioic acid
SMILESCCC1(C)OCCN1C(C)C(C(=O)O)C(=O)O
InChIInChI=1S/C11H19NO5/c1-4-11(3)12(5-6-17-11)7(2)8(9(13)14)10(15)16/h7-8H,4-6H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyQQTLXEHQWFFRLM-UHFFFAOYSA-N
XLogP0.62
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.62
H-Bond Donors ≤ 52
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 2-[1-(2-ethyl-2-methyl-1,3-oxazolidin-3-yl)ethyl]propanedioic acid?
The IUPAC name of 2-[1-(2-ethyl-2-methyl-1,3-oxazolidin-3-yl)ethyl]propanedioic acid (CID 175359057) is 2-[1-(2-ethyl-2-methyl-1,3-oxazolidin-3-yl)ethyl]propanedioic acid.
What is the SMILES notation for 2-[1-(2-ethyl-2-methyl-1,3-oxazolidin-3-yl)ethyl]propanedioic acid?
The canonical SMILES for 2-[1-(2-ethyl-2-methyl-1,3-oxazolidin-3-yl)ethyl]propanedioic acid is CCC1(C)OCCN1C(C)C(C(=O)O)C(=O)O.
What is the InChIKey of 2-[1-(2-ethyl-2-methyl-1,3-oxazolidin-3-yl)ethyl]propanedioic acid?
The InChIKey is QQTLXEHQWFFRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-4-11(3)12(5-6-17-11)7(2)8(9(13)14)10(15)16/h7-8H,4-6H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 2-[1-(2-ethyl-2-methyl-1,3-oxazolidin-3-yl)ethyl]propanedioic acid?
2-[1-(2-ethyl-2-methyl-1,3-oxazolidin-3-yl)ethyl]propanedioic acid has a molecular weight of 245.27 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethyl-2-methyl-1,3-oxazolidin-3-yl)ethyl]propanedioic acid is sourced from PubChem (CID 175359057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).