bis(3-amino-3-oxopropyl)-[(2S)-2-hydroxypropyl]azanium

C9H20N3O3+ — CID 2119979

IUPACbis(3-amino-3-oxopropyl)-[(2S)-2-hydroxypropyl]azanium
SMILESC[C@H](O)C[NH+](CCC(N)=O)CCC(N)=O
InChIInChI=1S/C9H19N3O3/c1-7(13)6-12(4-2-8(10)14)5-3-9(11)15/h7,13H,2-6H2,1H3,(H2,10,14)(H2,11,15)/p+1/t7-/m0/s1
InChIKeyLVRVTZGXNYJNPK-ZETCQYMHSA-O
MW218.28 g/mol
LogP-3.00
Rot. Bonds8

About bis(3-amino-3-oxopropyl)-[(2S)-2-hydroxypropyl]azanium

bis(3-amino-3-oxopropyl)-[(2S)-2-hydroxypropyl]azanium (PubChem CID 2119979) has the molecular formula C9H20N3O3+ and a molecular weight of 218.28 g/mol. Its IUPAC name is bis(3-amino-3-oxopropyl)-[(2S)-2-hydroxypropyl]azanium.

Molecular Properties

Compound Namebis(3-amino-3-oxopropyl)-[(2S)-2-hydroxypropyl]azanium
PubChem CID2119979
Molecular FormulaC9H20N3O3+
Molecular Weight218.28 g/mol
Exact Mass218.15
IUPAC Namebis(3-amino-3-oxopropyl)-[(2S)-2-hydroxypropyl]azanium
SMILESC[C@H](O)C[NH+](CCC(N)=O)CCC(N)=O
InChIInChI=1S/C9H19N3O3/c1-7(13)6-12(4-2-8(10)14)5-3-9(11)15/h7,13H,2-6H2,1H3,(H2,10,14)(H2,11,15)/p+1/t7-/m0/s1
InChIKeyLVRVTZGXNYJNPK-ZETCQYMHSA-O
XLogP-3.00
TPSA110.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-3.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

hexanediamide;propane-1,2-diol
CID 175159738
[(2R)-6-amino-6-oxohexan-2-yl]azanide
CID 58593495
carbamic acid;ethane-1,1-diol
CID 175516501
2-(2-hydroxypropyl)pentanediamide
CID 23104492
octadecanamide;bis(propan-2-ol)
CID 90014672
2-methylpentanediamide
CID 19688970
3-[(3-amino-3-oxopropyl)-methylamino]propanamide;bis(2-methylpropane)
CID 145273853
(2R)-2-methylpentanediamide
CID 90202517
1-aminoethanol;2-hydroxyacetamide
CID 160904835
2,8-dihydroxynonan-5-one
CID 174799972
butanediamide;molybdenum
CID 161333962
butanediamide;hydrobromide
CID 158484059

Frequently Asked Questions

What is the IUPAC name of bis(3-amino-3-oxopropyl)-[(2S)-2-hydroxypropyl]azanium?
The IUPAC name of bis(3-amino-3-oxopropyl)-[(2S)-2-hydroxypropyl]azanium (CID 2119979) is bis(3-amino-3-oxopropyl)-[(2S)-2-hydroxypropyl]azanium.
What is the SMILES notation for bis(3-amino-3-oxopropyl)-[(2S)-2-hydroxypropyl]azanium?
The canonical SMILES for bis(3-amino-3-oxopropyl)-[(2S)-2-hydroxypropyl]azanium is C[C@H](O)C[NH+](CCC(N)=O)CCC(N)=O.
What is the InChIKey of bis(3-amino-3-oxopropyl)-[(2S)-2-hydroxypropyl]azanium?
The InChIKey is LVRVTZGXNYJNPK-ZETCQYMHSA-O. The full InChI is InChI=1S/C9H19N3O3/c1-7(13)6-12(4-2-8(10)14)5-3-9(11)15/h7,13H,2-6H2,1H3,(H2,10,14)(H2,11,15)/p+1/t7-/m0/s1.
What are the key properties of bis(3-amino-3-oxopropyl)-[(2S)-2-hydroxypropyl]azanium?
bis(3-amino-3-oxopropyl)-[(2S)-2-hydroxypropyl]azanium has a molecular weight of 218.28 g/mol, XLogP of -3.00, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-amino-3-oxopropyl)-[(2S)-2-hydroxypropyl]azanium is sourced from PubChem (CID 2119979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).