2-amino-3-(1,2-oxazolidin-4-yl)propanal

C6H12N2O2 — CID 167481885

IUPAC2-amino-3-(1,2-oxazolidin-4-yl)propanal
SMILESNC(C=O)CC1CNOC1
InChIInChI=1S/C6H12N2O2/c7-6(3-9)1-5-2-8-10-4-5/h3,5-6,8H,1-2,4,7H2
InChIKeyVCWLTHBZPFXYAU-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.95
Rot. Bonds3

About 2-amino-3-(1,2-oxazolidin-4-yl)propanal

2-amino-3-(1,2-oxazolidin-4-yl)propanal (PubChem CID 167481885) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-amino-3-(1,2-oxazolidin-4-yl)propanal.

Molecular Properties

Compound Name2-amino-3-(1,2-oxazolidin-4-yl)propanal
PubChem CID167481885
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name2-amino-3-(1,2-oxazolidin-4-yl)propanal
SMILESNC(C=O)CC1CNOC1
InChIInChI=1S/C6H12N2O2/c7-6(3-9)1-5-2-8-10-4-5/h3,5-6,8H,1-2,4,7H2
InChIKeyVCWLTHBZPFXYAU-UHFFFAOYSA-N
XLogP-0.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1,2-oxazolidin-4-yl)propanal?
The IUPAC name of 2-amino-3-(1,2-oxazolidin-4-yl)propanal (CID 167481885) is 2-amino-3-(1,2-oxazolidin-4-yl)propanal.
What is the SMILES notation for 2-amino-3-(1,2-oxazolidin-4-yl)propanal?
The canonical SMILES for 2-amino-3-(1,2-oxazolidin-4-yl)propanal is NC(C=O)CC1CNOC1.
What is the InChIKey of 2-amino-3-(1,2-oxazolidin-4-yl)propanal?
The InChIKey is VCWLTHBZPFXYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c7-6(3-9)1-5-2-8-10-4-5/h3,5-6,8H,1-2,4,7H2.
What are the key properties of 2-amino-3-(1,2-oxazolidin-4-yl)propanal?
2-amino-3-(1,2-oxazolidin-4-yl)propanal has a molecular weight of 144.17 g/mol, XLogP of -0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1,2-oxazolidin-4-yl)propanal is sourced from PubChem (CID 167481885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).