[(2S,3S)-2-(hydroxymethyl)-4-oxoazetidin-3-yl]carbamic acid

C5H8N2O4 — CID 45083313

IUPAC[(2S,3S)-2-(hydroxymethyl)-4-oxoazetidin-3-yl]carbamic acid
SMILESO=C(O)N[C@@H]1C(=O)N[C@@H]1CO
InChIInChI=1S/C5H8N2O4/c8-1-2-3(4(9)6-2)7-5(10)11/h2-3,7-8H,1H2,(H,6,9)(H,10,11)/t2-,3+/m1/s1
InChIKeySAQWYYBXCWCPGB-GBXIJSLDSA-N
MW160.13 g/mol
LogP-1.89
Rot. Bonds2

About [(2S,3S)-2-(hydroxymethyl)-4-oxoazetidin-3-yl]carbamic acid

[(2S,3S)-2-(hydroxymethyl)-4-oxoazetidin-3-yl]carbamic acid (PubChem CID 45083313) has the molecular formula C5H8N2O4 and a molecular weight of 160.13 g/mol. Its IUPAC name is [(2S,3S)-2-(hydroxymethyl)-4-oxoazetidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(2S,3S)-2-(hydroxymethyl)-4-oxoazetidin-3-yl]carbamic acid
PubChem CID45083313
Molecular FormulaC5H8N2O4
Molecular Weight160.13 g/mol
Exact Mass160.05
IUPAC Name[(2S,3S)-2-(hydroxymethyl)-4-oxoazetidin-3-yl]carbamic acid
SMILESO=C(O)N[C@@H]1C(=O)N[C@@H]1CO
InChIInChI=1S/C5H8N2O4/c8-1-2-3(4(9)6-2)7-5(10)11/h2-3,7-8H,1H2,(H,6,9)(H,10,11)/t2-,3+/m1/s1
InChIKeySAQWYYBXCWCPGB-GBXIJSLDSA-N
XLogP-1.89
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.13
LogP ≤ 5-1.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-2-(hydroxymethyl)-4-oxoazetidin-3-yl]carbamic acid?
The IUPAC name of [(2S,3S)-2-(hydroxymethyl)-4-oxoazetidin-3-yl]carbamic acid (CID 45083313) is [(2S,3S)-2-(hydroxymethyl)-4-oxoazetidin-3-yl]carbamic acid.
What is the SMILES notation for [(2S,3S)-2-(hydroxymethyl)-4-oxoazetidin-3-yl]carbamic acid?
The canonical SMILES for [(2S,3S)-2-(hydroxymethyl)-4-oxoazetidin-3-yl]carbamic acid is O=C(O)N[C@@H]1C(=O)N[C@@H]1CO.
What is the InChIKey of [(2S,3S)-2-(hydroxymethyl)-4-oxoazetidin-3-yl]carbamic acid?
The InChIKey is SAQWYYBXCWCPGB-GBXIJSLDSA-N. The full InChI is InChI=1S/C5H8N2O4/c8-1-2-3(4(9)6-2)7-5(10)11/h2-3,7-8H,1H2,(H,6,9)(H,10,11)/t2-,3+/m1/s1.
What are the key properties of [(2S,3S)-2-(hydroxymethyl)-4-oxoazetidin-3-yl]carbamic acid?
[(2S,3S)-2-(hydroxymethyl)-4-oxoazetidin-3-yl]carbamic acid has a molecular weight of 160.13 g/mol, XLogP of -1.89, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2-(hydroxymethyl)-4-oxoazetidin-3-yl]carbamic acid is sourced from PubChem (CID 45083313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).