N-[(3S)-2-oxoazetidin-3-yl]formamide

C4H6N2O2 — CID 57068270

IUPACN-[(3S)-2-oxoazetidin-3-yl]formamide
SMILESO=CN[C@H]1CNC1=O
InChIInChI=1S/C4H6N2O2/c7-2-6-3-1-5-4(3)8/h2-3H,1H2,(H,5,8)(H,6,7)/t3-/m0/s1
InChIKeyJVGBLHWQCWVAOP-VKHMYHEASA-N
MW114.10 g/mol
LogP-1.77
Rot. Bonds2

About N-[(3S)-2-oxoazetidin-3-yl]formamide

N-[(3S)-2-oxoazetidin-3-yl]formamide (PubChem CID 57068270) has the molecular formula C4H6N2O2 and a molecular weight of 114.10 g/mol. Its IUPAC name is N-[(3S)-2-oxoazetidin-3-yl]formamide.

Molecular Properties

Compound NameN-[(3S)-2-oxoazetidin-3-yl]formamide
PubChem CID57068270
Molecular FormulaC4H6N2O2
Molecular Weight114.10 g/mol
Exact Mass114.04
IUPAC NameN-[(3S)-2-oxoazetidin-3-yl]formamide
SMILESO=CN[C@H]1CNC1=O
InChIInChI=1S/C4H6N2O2/c7-2-6-3-1-5-4(3)8/h2-3H,1H2,(H,5,8)(H,6,7)/t3-/m0/s1
InChIKeyJVGBLHWQCWVAOP-VKHMYHEASA-N
XLogP-1.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 5-1.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxoazetidin-3-yl]formamide?
The IUPAC name of N-[(3S)-2-oxoazetidin-3-yl]formamide (CID 57068270) is N-[(3S)-2-oxoazetidin-3-yl]formamide.
What is the SMILES notation for N-[(3S)-2-oxoazetidin-3-yl]formamide?
The canonical SMILES for N-[(3S)-2-oxoazetidin-3-yl]formamide is O=CN[C@H]1CNC1=O.
What is the InChIKey of N-[(3S)-2-oxoazetidin-3-yl]formamide?
The InChIKey is JVGBLHWQCWVAOP-VKHMYHEASA-N. The full InChI is InChI=1S/C4H6N2O2/c7-2-6-3-1-5-4(3)8/h2-3H,1H2,(H,5,8)(H,6,7)/t3-/m0/s1.
What are the key properties of N-[(3S)-2-oxoazetidin-3-yl]formamide?
N-[(3S)-2-oxoazetidin-3-yl]formamide has a molecular weight of 114.10 g/mol, XLogP of -1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxoazetidin-3-yl]formamide is sourced from PubChem (CID 57068270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).