methyl 2-[(2R,3S)-3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate

C8H13NO4 — CID 13374054

IUPACmethyl 2-[(2R,3S)-3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate
SMILESCOC(=O)C[C@H]1NC(=O)[C@@H]1C(C)O
InChIInChI=1S/C8H13NO4/c1-4(10)7-5(9-8(7)12)3-6(11)13-2/h4-5,7,10H,3H2,1-2H3,(H,9,12)/t4?,5-,7-/m1/s1
InChIKeyHWGNGWLCPQJQBO-JXPXPQBSSA-N
MW187.19 g/mol
LogP-0.96
Rot. Bonds3

About methyl 2-[(2R,3S)-3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate

methyl 2-[(2R,3S)-3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate (PubChem CID 13374054) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is methyl 2-[(2R,3S)-3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,3S)-3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate
PubChem CID13374054
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Namemethyl 2-[(2R,3S)-3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate
SMILESCOC(=O)C[C@H]1NC(=O)[C@@H]1C(C)O
InChIInChI=1S/C8H13NO4/c1-4(10)7-5(9-8(7)12)3-6(11)13-2/h4-5,7,10H,3H2,1-2H3,(H,9,12)/t4?,5-,7-/m1/s1
InChIKeyHWGNGWLCPQJQBO-JXPXPQBSSA-N
XLogP-0.96
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,3S)-3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate?
The IUPAC name of methyl 2-[(2R,3S)-3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate (CID 13374054) is methyl 2-[(2R,3S)-3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,3S)-3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R,3S)-3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate is COC(=O)C[C@H]1NC(=O)[C@@H]1C(C)O.
What is the InChIKey of methyl 2-[(2R,3S)-3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate?
The InChIKey is HWGNGWLCPQJQBO-JXPXPQBSSA-N. The full InChI is InChI=1S/C8H13NO4/c1-4(10)7-5(9-8(7)12)3-6(11)13-2/h4-5,7,10H,3H2,1-2H3,(H,9,12)/t4?,5-,7-/m1/s1.
What are the key properties of methyl 2-[(2R,3S)-3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate?
methyl 2-[(2R,3S)-3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate has a molecular weight of 187.19 g/mol, XLogP of -0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,3S)-3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate is sourced from PubChem (CID 13374054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).