2-(aminomethyl)-1,3-oxazolidin-5-one

C4H8N2O2 — CID 102271595

IUPAC2-(aminomethyl)-1,3-oxazolidin-5-one
SMILESNCC1NCC(=O)O1
InChIInChI=1S/C4H8N2O2/c5-1-3-6-2-4(7)8-3/h3,6H,1-2,5H2
InChIKeyGPDGBPPYKIQTLR-UHFFFAOYSA-N
MW116.12 g/mol
LogP-1.58
Rot. Bonds1

About 2-(aminomethyl)-1,3-oxazolidin-5-one

2-(aminomethyl)-1,3-oxazolidin-5-one (PubChem CID 102271595) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is 2-(aminomethyl)-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name2-(aminomethyl)-1,3-oxazolidin-5-one
PubChem CID102271595
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name2-(aminomethyl)-1,3-oxazolidin-5-one
SMILESNCC1NCC(=O)O1
InChIInChI=1S/C4H8N2O2/c5-1-3-6-2-4(7)8-3/h3,6H,1-2,5H2
InChIKeyGPDGBPPYKIQTLR-UHFFFAOYSA-N
XLogP-1.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-1.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1,3-oxazolidin-5-one?
The IUPAC name of 2-(aminomethyl)-1,3-oxazolidin-5-one (CID 102271595) is 2-(aminomethyl)-1,3-oxazolidin-5-one.
What is the SMILES notation for 2-(aminomethyl)-1,3-oxazolidin-5-one?
The canonical SMILES for 2-(aminomethyl)-1,3-oxazolidin-5-one is NCC1NCC(=O)O1.
What is the InChIKey of 2-(aminomethyl)-1,3-oxazolidin-5-one?
The InChIKey is GPDGBPPYKIQTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c5-1-3-6-2-4(7)8-3/h3,6H,1-2,5H2.
What are the key properties of 2-(aminomethyl)-1,3-oxazolidin-5-one?
2-(aminomethyl)-1,3-oxazolidin-5-one has a molecular weight of 116.12 g/mol, XLogP of -1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1,3-oxazolidin-5-one is sourced from PubChem (CID 102271595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).