[(2S,3S)-2-methyl-4-oxo-1-phosphonoazetidin-3-yl]carbamic acid

C5H9N2O6P — CID 18611426

IUPAC[(2S,3S)-2-methyl-4-oxo-1-phosphonoazetidin-3-yl]carbamic acid
SMILESC[C@H]1[C@H](NC(=O)O)C(=O)N1P(=O)(O)O
InChIInChI=1S/C5H9N2O6P/c1-2-3(6-5(9)10)4(8)7(2)14(11,12)13/h2-3,6H,1H3,(H,9,10)(H2,11,12,13)/t2-,3-/m0/s1
InChIKeyIWTYLWJCZAHXEQ-HRFVKAFMSA-N
MW224.11 g/mol
LogP-1.05
Rot. Bonds2

About [(2S,3S)-2-methyl-4-oxo-1-phosphonoazetidin-3-yl]carbamic acid

[(2S,3S)-2-methyl-4-oxo-1-phosphonoazetidin-3-yl]carbamic acid (PubChem CID 18611426) has the molecular formula C5H9N2O6P and a molecular weight of 224.11 g/mol. Its IUPAC name is [(2S,3S)-2-methyl-4-oxo-1-phosphonoazetidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(2S,3S)-2-methyl-4-oxo-1-phosphonoazetidin-3-yl]carbamic acid
PubChem CID18611426
Molecular FormulaC5H9N2O6P
Molecular Weight224.11 g/mol
Exact Mass224.02
IUPAC Name[(2S,3S)-2-methyl-4-oxo-1-phosphonoazetidin-3-yl]carbamic acid
SMILESC[C@H]1[C@H](NC(=O)O)C(=O)N1P(=O)(O)O
InChIInChI=1S/C5H9N2O6P/c1-2-3(6-5(9)10)4(8)7(2)14(11,12)13/h2-3,6H,1H3,(H,9,10)(H2,11,12,13)/t2-,3-/m0/s1
InChIKeyIWTYLWJCZAHXEQ-HRFVKAFMSA-N
XLogP-1.05
TPSA127.17 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.11
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-2-methyl-4-oxo-1-phosphonoazetidin-3-yl]carbamic acid?
The IUPAC name of [(2S,3S)-2-methyl-4-oxo-1-phosphonoazetidin-3-yl]carbamic acid (CID 18611426) is [(2S,3S)-2-methyl-4-oxo-1-phosphonoazetidin-3-yl]carbamic acid.
What is the SMILES notation for [(2S,3S)-2-methyl-4-oxo-1-phosphonoazetidin-3-yl]carbamic acid?
The canonical SMILES for [(2S,3S)-2-methyl-4-oxo-1-phosphonoazetidin-3-yl]carbamic acid is C[C@H]1[C@H](NC(=O)O)C(=O)N1P(=O)(O)O.
What is the InChIKey of [(2S,3S)-2-methyl-4-oxo-1-phosphonoazetidin-3-yl]carbamic acid?
The InChIKey is IWTYLWJCZAHXEQ-HRFVKAFMSA-N. The full InChI is InChI=1S/C5H9N2O6P/c1-2-3(6-5(9)10)4(8)7(2)14(11,12)13/h2-3,6H,1H3,(H,9,10)(H2,11,12,13)/t2-,3-/m0/s1.
What are the key properties of [(2S,3S)-2-methyl-4-oxo-1-phosphonoazetidin-3-yl]carbamic acid?
[(2S,3S)-2-methyl-4-oxo-1-phosphonoazetidin-3-yl]carbamic acid has a molecular weight of 224.11 g/mol, XLogP of -1.05, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2-methyl-4-oxo-1-phosphonoazetidin-3-yl]carbamic acid is sourced from PubChem (CID 18611426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).