3-aminopropan-1-ol;carbon dioxide;1-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-diazinan-2-one

C13H25N5O5 — CID 158924537

IUPAC3-aminopropan-1-ol;carbon dioxide;1-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-diazinan-2-one
SMILESNCCCO.O=C1NCCCN1CCN1CCNC1=O.O=C=O
InChIInChI=1S/C9H16N4O2.C3H9NO.CO2/c14-8-10-2-1-4-12(8)6-7-13-5-3-11-9(13)15;4-2-1-3-5;2-1-3/h1-7H2,(H,10,14)(H,11,15);5H,1-4H2;
InChIKeyJIGMTXLHDSNOPH-UHFFFAOYSA-N
MW331.37 g/mol
LogP-1.83
Rot. Bonds5

About 3-aminopropan-1-ol;carbon dioxide;1-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-diazinan-2-one

3-aminopropan-1-ol;carbon dioxide;1-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-diazinan-2-one (PubChem CID 158924537) has the molecular formula C13H25N5O5 and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-aminopropan-1-ol;carbon dioxide;1-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name3-aminopropan-1-ol;carbon dioxide;1-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-diazinan-2-one
PubChem CID158924537
Molecular FormulaC13H25N5O5
Molecular Weight331.37 g/mol
Exact Mass331.19
IUPAC Name3-aminopropan-1-ol;carbon dioxide;1-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-diazinan-2-one
SMILESNCCCO.O=C1NCCCN1CCN1CCNC1=O.O=C=O
InChIInChI=1S/C9H16N4O2.C3H9NO.CO2/c14-8-10-2-1-4-12(8)6-7-13-5-3-11-9(13)15;4-2-1-3-5;2-1-3/h1-7H2,(H,10,14)(H,11,15);5H,1-4H2;
InChIKeyJIGMTXLHDSNOPH-UHFFFAOYSA-N
XLogP-1.83
TPSA145.07 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 5-1.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-aminopropan-1-ol;carbon dioxide;1-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-diazinan-2-one?
The IUPAC name of 3-aminopropan-1-ol;carbon dioxide;1-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-diazinan-2-one (CID 158924537) is 3-aminopropan-1-ol;carbon dioxide;1-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-diazinan-2-one.
What is the SMILES notation for 3-aminopropan-1-ol;carbon dioxide;1-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-diazinan-2-one?
The canonical SMILES for 3-aminopropan-1-ol;carbon dioxide;1-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-diazinan-2-one is NCCCO.O=C1NCCCN1CCN1CCNC1=O.O=C=O.
What is the InChIKey of 3-aminopropan-1-ol;carbon dioxide;1-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-diazinan-2-one?
The InChIKey is JIGMTXLHDSNOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2.C3H9NO.CO2/c14-8-10-2-1-4-12(8)6-7-13-5-3-11-9(13)15;4-2-1-3-5;2-1-3/h1-7H2,(H,10,14)(H,11,15);5H,1-4H2;.
What are the key properties of 3-aminopropan-1-ol;carbon dioxide;1-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-diazinan-2-one?
3-aminopropan-1-ol;carbon dioxide;1-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-diazinan-2-one has a molecular weight of 331.37 g/mol, XLogP of -1.83, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropan-1-ol;carbon dioxide;1-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-diazinan-2-one is sourced from PubChem (CID 158924537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).