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

C8H11N3O5 — CID 118394058

IUPAC[(3S,4S)-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]azetidin-3-yl]carbamic acid
SMILESO=C(O)N[C@@H]1C(=O)N[C@H]1CN1CCOC1=O
InChIInChI=1S/C8H11N3O5/c12-6-5(10-7(13)14)4(9-6)3-11-1-2-16-8(11)15/h4-5,10H,1-3H2,(H,9,12)(H,13,14)/t4-,5-/m0/s1
InChIKeyWAUUJIWZSIUNCQ-WHFBIAKZSA-N
MW229.19 g/mol
LogP-1.43
Rot. Bonds3

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

[(3S,4S)-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]azetidin-3-yl]carbamic acid (PubChem CID 118394058) has the molecular formula C8H11N3O5 and a molecular weight of 229.19 g/mol. Its IUPAC name is [(3S,4S)-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]azetidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3S,4S)-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]azetidin-3-yl]carbamic acid
PubChem CID118394058
Molecular FormulaC8H11N3O5
Molecular Weight229.19 g/mol
Exact Mass229.07
IUPAC Name[(3S,4S)-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]azetidin-3-yl]carbamic acid
SMILESO=C(O)N[C@@H]1C(=O)N[C@H]1CN1CCOC1=O
InChIInChI=1S/C8H11N3O5/c12-6-5(10-7(13)14)4(9-6)3-11-1-2-16-8(11)15/h4-5,10H,1-3H2,(H,9,12)(H,13,14)/t4-,5-/m0/s1
InChIKeyWAUUJIWZSIUNCQ-WHFBIAKZSA-N
XLogP-1.43
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]azetidin-3-yl]carbamic acid?
The IUPAC name of [(3S,4S)-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]azetidin-3-yl]carbamic acid (CID 118394058) is [(3S,4S)-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]azetidin-3-yl]carbamic acid.
What is the SMILES notation for [(3S,4S)-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]azetidin-3-yl]carbamic acid?
The canonical SMILES for [(3S,4S)-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]azetidin-3-yl]carbamic acid is O=C(O)N[C@@H]1C(=O)N[C@H]1CN1CCOC1=O.
What is the InChIKey of [(3S,4S)-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]azetidin-3-yl]carbamic acid?
The InChIKey is WAUUJIWZSIUNCQ-WHFBIAKZSA-N. The full InChI is InChI=1S/C8H11N3O5/c12-6-5(10-7(13)14)4(9-6)3-11-1-2-16-8(11)15/h4-5,10H,1-3H2,(H,9,12)(H,13,14)/t4-,5-/m0/s1.
What are the key properties of [(3S,4S)-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]azetidin-3-yl]carbamic acid?
[(3S,4S)-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]azetidin-3-yl]carbamic acid has a molecular weight of 229.19 g/mol, XLogP of -1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]azetidin-3-yl]carbamic acid is sourced from PubChem (CID 118394058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).