4-(aminomethyl)-1,3-oxazolidine-2,5-dione

C4H6N2O3 — CID 89102587

IUPAC4-(aminomethyl)-1,3-oxazolidine-2,5-dione
SMILESNCC1NC(=O)OC1=O
InChIInChI=1S/C4H6N2O3/c5-1-2-3(7)9-4(8)6-2/h2H,1,5H2,(H,6,8)
InChIKeyYJWFCBJDGALWEO-UHFFFAOYSA-N
MW130.10 g/mol
LogP-1.42
Rot. Bonds1

About 4-(aminomethyl)-1,3-oxazolidine-2,5-dione

4-(aminomethyl)-1,3-oxazolidine-2,5-dione (PubChem CID 89102587) has the molecular formula C4H6N2O3 and a molecular weight of 130.10 g/mol. Its IUPAC name is 4-(aminomethyl)-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name4-(aminomethyl)-1,3-oxazolidine-2,5-dione
PubChem CID89102587
Molecular FormulaC4H6N2O3
Molecular Weight130.10 g/mol
Exact Mass130.04
IUPAC Name4-(aminomethyl)-1,3-oxazolidine-2,5-dione
SMILESNCC1NC(=O)OC1=O
InChIInChI=1S/C4H6N2O3/c5-1-2-3(7)9-4(8)6-2/h2H,1,5H2,(H,6,8)
InChIKeyYJWFCBJDGALWEO-UHFFFAOYSA-N
XLogP-1.42
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1,3-oxazolidine-2,5-dione?
The IUPAC name of 4-(aminomethyl)-1,3-oxazolidine-2,5-dione (CID 89102587) is 4-(aminomethyl)-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for 4-(aminomethyl)-1,3-oxazolidine-2,5-dione?
The canonical SMILES for 4-(aminomethyl)-1,3-oxazolidine-2,5-dione is NCC1NC(=O)OC1=O.
What is the InChIKey of 4-(aminomethyl)-1,3-oxazolidine-2,5-dione?
The InChIKey is YJWFCBJDGALWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O3/c5-1-2-3(7)9-4(8)6-2/h2H,1,5H2,(H,6,8).
What are the key properties of 4-(aminomethyl)-1,3-oxazolidine-2,5-dione?
4-(aminomethyl)-1,3-oxazolidine-2,5-dione has a molecular weight of 130.10 g/mol, XLogP of -1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 89102587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).