2-[(2S,3S)-1-ethoxycarbonyl-3-ethyl-4-oxoazetidin-2-yl]oxyacetic acid

C10H15NO6 — CID 15934674

IUPAC2-[(2S,3S)-1-ethoxycarbonyl-3-ethyl-4-oxoazetidin-2-yl]oxyacetic acid
SMILESCCOC(=O)N1C(=O)[C@@H](CC)[C@@H]1OCC(=O)O
InChIInChI=1S/C10H15NO6/c1-3-6-8(14)11(10(15)16-4-2)9(6)17-5-7(12)13/h6,9H,3-5H2,1-2H3,(H,12,13)/t6-,9+/m1/s1
InChIKeyOMUXCKSOEVJWBW-MUWHJKNJSA-N
MW245.23 g/mol
LogP0.44
Rot. Bonds5

About 2-[(2S,3S)-1-ethoxycarbonyl-3-ethyl-4-oxoazetidin-2-yl]oxyacetic acid

2-[(2S,3S)-1-ethoxycarbonyl-3-ethyl-4-oxoazetidin-2-yl]oxyacetic acid (PubChem CID 15934674) has the molecular formula C10H15NO6 and a molecular weight of 245.23 g/mol. Its IUPAC name is 2-[(2S,3S)-1-ethoxycarbonyl-3-ethyl-4-oxoazetidin-2-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[(2S,3S)-1-ethoxycarbonyl-3-ethyl-4-oxoazetidin-2-yl]oxyacetic acid
PubChem CID15934674
Molecular FormulaC10H15NO6
Molecular Weight245.23 g/mol
Exact Mass245.09
IUPAC Name2-[(2S,3S)-1-ethoxycarbonyl-3-ethyl-4-oxoazetidin-2-yl]oxyacetic acid
SMILESCCOC(=O)N1C(=O)[C@@H](CC)[C@@H]1OCC(=O)O
InChIInChI=1S/C10H15NO6/c1-3-6-8(14)11(10(15)16-4-2)9(6)17-5-7(12)13/h6,9H,3-5H2,1-2H3,(H,12,13)/t6-,9+/m1/s1
InChIKeyOMUXCKSOEVJWBW-MUWHJKNJSA-N
XLogP0.44
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-acetyl-3-ethyl-4-oxoazetidin-2-yl) acetate
CID 14543795
2-[(2S,3S)-3-amino-2-methyl-4-oxoazetidine-1-carbonyl]oxyacetic acid
CID 45089619
2-(2-ethoxy-2-oxoethoxy)acetic acid
CID 11305696
ethyl (1R,4S)-3-oxo-2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 14282866
methyl (2R,3R)-1-acetyl-3-(3-ethoxy-3-oxopropyl)-4-oxoazetidine-2-carboxylate
CID 67699176
2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetic acid;hydrochloride
CID 70148163
ethyl (2R,3S)-3-ethyl-4-oxoazetidine-2-carboxylate
CID 135039952
ethyl carbamate;propanoic acid
CID 158069728
ethyl (2S)-2-(2-methylpropyl)-3-oxoazetidine-1-carboxylate
CID 10703159
ethyl 1,3-dioxo-3a,4,7,7a-tetrahydroisoindole-2-carboxylate
CID 23628680
ethyl 2,4-dioxo-1-propylpyrrolidine-3-carboxylate
CID 14074904
2-ethoxyacetic acid
CID 159744705

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3S)-1-ethoxycarbonyl-3-ethyl-4-oxoazetidin-2-yl]oxyacetic acid?
The IUPAC name of 2-[(2S,3S)-1-ethoxycarbonyl-3-ethyl-4-oxoazetidin-2-yl]oxyacetic acid (CID 15934674) is 2-[(2S,3S)-1-ethoxycarbonyl-3-ethyl-4-oxoazetidin-2-yl]oxyacetic acid.
What is the SMILES notation for 2-[(2S,3S)-1-ethoxycarbonyl-3-ethyl-4-oxoazetidin-2-yl]oxyacetic acid?
The canonical SMILES for 2-[(2S,3S)-1-ethoxycarbonyl-3-ethyl-4-oxoazetidin-2-yl]oxyacetic acid is CCOC(=O)N1C(=O)[C@@H](CC)[C@@H]1OCC(=O)O.
What is the InChIKey of 2-[(2S,3S)-1-ethoxycarbonyl-3-ethyl-4-oxoazetidin-2-yl]oxyacetic acid?
The InChIKey is OMUXCKSOEVJWBW-MUWHJKNJSA-N. The full InChI is InChI=1S/C10H15NO6/c1-3-6-8(14)11(10(15)16-4-2)9(6)17-5-7(12)13/h6,9H,3-5H2,1-2H3,(H,12,13)/t6-,9+/m1/s1.
What are the key properties of 2-[(2S,3S)-1-ethoxycarbonyl-3-ethyl-4-oxoazetidin-2-yl]oxyacetic acid?
2-[(2S,3S)-1-ethoxycarbonyl-3-ethyl-4-oxoazetidin-2-yl]oxyacetic acid has a molecular weight of 245.23 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3S)-1-ethoxycarbonyl-3-ethyl-4-oxoazetidin-2-yl]oxyacetic acid is sourced from PubChem (CID 15934674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).