2-[(2S)-4-oxoazetidin-2-yl]acetic acid

C5H7NO3 — CID 12795461

IUPAC2-[(2S)-4-oxoazetidin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1CC(=O)N1
InChIInChI=1S/C5H7NO3/c7-4-1-3(6-4)2-5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1
InChIKeyPFYZSIGLKDYGAG-VKHMYHEASA-N
MW129.11 g/mol
LogP-0.65
Rot. Bonds2

About 2-[(2S)-4-oxoazetidin-2-yl]acetic acid

2-[(2S)-4-oxoazetidin-2-yl]acetic acid (PubChem CID 12795461) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is 2-[(2S)-4-oxoazetidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-4-oxoazetidin-2-yl]acetic acid
PubChem CID12795461
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Name2-[(2S)-4-oxoazetidin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1CC(=O)N1
InChIInChI=1S/C5H7NO3/c7-4-1-3(6-4)2-5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1
InChIKeyPFYZSIGLKDYGAG-VKHMYHEASA-N
XLogP-0.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-oxoazetidin-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-4-oxoazetidin-2-yl]acetic acid (CID 12795461) is 2-[(2S)-4-oxoazetidin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-4-oxoazetidin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-4-oxoazetidin-2-yl]acetic acid is O=C(O)C[C@@H]1CC(=O)N1.
What is the InChIKey of 2-[(2S)-4-oxoazetidin-2-yl]acetic acid?
The InChIKey is PFYZSIGLKDYGAG-VKHMYHEASA-N. The full InChI is InChI=1S/C5H7NO3/c7-4-1-3(6-4)2-5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1.
What are the key properties of 2-[(2S)-4-oxoazetidin-2-yl]acetic acid?
2-[(2S)-4-oxoazetidin-2-yl]acetic acid has a molecular weight of 129.11 g/mol, XLogP of -0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-oxoazetidin-2-yl]acetic acid is sourced from PubChem (CID 12795461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).