2-amino-3-(1,2-oxazolidin-4-yl)propanal;ethane;methanol;molecular hydrogen

C9H26N2O3 — CID 167481884

IUPAC2-amino-3-(1,2-oxazolidin-4-yl)propanal;ethane;methanol;molecular hydrogen
SMILESCC.CO.NC(C=O)CC1CNOC1.[H][H].[H][H]
InChIInChI=1S/C6H12N2O2.C2H6.CH4O.2H2/c7-6(3-9)1-5-2-8-10-4-5;2*1-2;;/h3,5-6,8H,1-2,4,7H2;1-2H3;2H,1H3;2*1H
InChIKeyUXIDHEUWPLIDGT-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.18
Rot. Bonds3

About 2-amino-3-(1,2-oxazolidin-4-yl)propanal;ethane;methanol;molecular hydrogen

2-amino-3-(1,2-oxazolidin-4-yl)propanal;ethane;methanol;molecular hydrogen (PubChem CID 167481884) has the molecular formula C9H26N2O3 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-amino-3-(1,2-oxazolidin-4-yl)propanal;ethane;methanol;molecular hydrogen.

Molecular Properties

Compound Name2-amino-3-(1,2-oxazolidin-4-yl)propanal;ethane;methanol;molecular hydrogen
PubChem CID167481884
Molecular FormulaC9H26N2O3
Molecular Weight210.32 g/mol
Exact Mass210.19
IUPAC Name2-amino-3-(1,2-oxazolidin-4-yl)propanal;ethane;methanol;molecular hydrogen
SMILESCC.CO.NC(C=O)CC1CNOC1.[H][H].[H][H]
InChIInChI=1S/C6H12N2O2.C2H6.CH4O.2H2/c7-6(3-9)1-5-2-8-10-4-5;2*1-2;;/h3,5-6,8H,1-2,4,7H2;1-2H3;2H,1H3;2*1H
InChIKeyUXIDHEUWPLIDGT-UHFFFAOYSA-N
XLogP0.18
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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;ethane;methanol;molecular hydrogen?
The IUPAC name of 2-amino-3-(1,2-oxazolidin-4-yl)propanal;ethane;methanol;molecular hydrogen (CID 167481884) is 2-amino-3-(1,2-oxazolidin-4-yl)propanal;ethane;methanol;molecular hydrogen.
What is the SMILES notation for 2-amino-3-(1,2-oxazolidin-4-yl)propanal;ethane;methanol;molecular hydrogen?
The canonical SMILES for 2-amino-3-(1,2-oxazolidin-4-yl)propanal;ethane;methanol;molecular hydrogen is CC.CO.NC(C=O)CC1CNOC1.[H][H].[H][H].
What is the InChIKey of 2-amino-3-(1,2-oxazolidin-4-yl)propanal;ethane;methanol;molecular hydrogen?
The InChIKey is UXIDHEUWPLIDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2.C2H6.CH4O.2H2/c7-6(3-9)1-5-2-8-10-4-5;2*1-2;;/h3,5-6,8H,1-2,4,7H2;1-2H3;2H,1H3;2*1H.
What are the key properties of 2-amino-3-(1,2-oxazolidin-4-yl)propanal;ethane;methanol;molecular hydrogen?
2-amino-3-(1,2-oxazolidin-4-yl)propanal;ethane;methanol;molecular hydrogen has a molecular weight of 210.32 g/mol, XLogP of 0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1,2-oxazolidin-4-yl)propanal;ethane;methanol;molecular hydrogen is sourced from PubChem (CID 167481884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).