[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]propan-2-yl]amino]propan-2-yl]azanium

C12H25N4O3+ — CID 155488645

IUPAC[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]propan-2-yl]amino]propan-2-yl]azanium
SMILESCC(C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH3+]
InChIInChI=1S/C12H24N4O3/c1-6(2)14-11(18)8(4)16-12(19)9(5)15-10(17)7(3)13/h6-9H,13H2,1-5H3,(H,14,18)(H,15,17)(H,16,19)/p+1/t7-,8-,9-/m0/s1
InChIKeyLCFODOLMWPTVEL-CIUDSAMLSA-O
MW273.36 g/mol
LogP-1.85
Rot. Bonds6

About [(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]propan-2-yl]amino]propan-2-yl]azanium

[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]propan-2-yl]amino]propan-2-yl]azanium (PubChem CID 155488645) has the molecular formula C12H25N4O3+ and a molecular weight of 273.36 g/mol. Its IUPAC name is [(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]propan-2-yl]amino]propan-2-yl]azanium.

Molecular Properties

Compound Name[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]propan-2-yl]amino]propan-2-yl]azanium
PubChem CID155488645
Molecular FormulaC12H25N4O3+
Molecular Weight273.36 g/mol
Exact Mass273.19
IUPAC Name[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]propan-2-yl]amino]propan-2-yl]azanium
SMILESCC(C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH3+]
InChIInChI=1S/C12H24N4O3/c1-6(2)14-11(18)8(4)16-12(19)9(5)15-10(17)7(3)13/h6-9H,13H2,1-5H3,(H,14,18)(H,15,17)(H,16,19)/p+1/t7-,8-,9-/m0/s1
InChIKeyLCFODOLMWPTVEL-CIUDSAMLSA-O
XLogP-1.85
TPSA114.94 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 5-1.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze [(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]propan-2-yl]amino]propan-2-yl]azanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]propan-2-yl]amino]propan-2-yl]azanium?
The IUPAC name of [(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]propan-2-yl]amino]propan-2-yl]azanium (CID 155488645) is [(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]propan-2-yl]amino]propan-2-yl]azanium.
What is the SMILES notation for [(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]propan-2-yl]amino]propan-2-yl]azanium?
The canonical SMILES for [(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]propan-2-yl]amino]propan-2-yl]azanium is CC(C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH3+].
What is the InChIKey of [(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]propan-2-yl]amino]propan-2-yl]azanium?
The InChIKey is LCFODOLMWPTVEL-CIUDSAMLSA-O. The full InChI is InChI=1S/C12H24N4O3/c1-6(2)14-11(18)8(4)16-12(19)9(5)15-10(17)7(3)13/h6-9H,13H2,1-5H3,(H,14,18)(H,15,17)(H,16,19)/p+1/t7-,8-,9-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]propan-2-yl]amino]propan-2-yl]azanium?
[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]propan-2-yl]amino]propan-2-yl]azanium has a molecular weight of 273.36 g/mol, XLogP of -1.85, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]propan-2-yl]amino]propan-2-yl]azanium is sourced from PubChem (CID 155488645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).