[(2S)-1-[4-[[(2S)-2-azaniumylpropanoyl]amino]butylamino]-1-oxopropan-2-yl]azanium dichloride

C10H24Cl2N4O2 — CID 10494630

IUPAC[(2S)-1-[4-[[(2S)-2-azaniumylpropanoyl]amino]butylamino]-1-oxopropan-2-yl]azanium dichloride
SMILESC[C@H]([NH3+])C(=O)NCCCCNC(=O)[C@H](C)[NH3+].[Cl-].[Cl-]
InChIInChI=1S/C10H22N4O2.2ClH/c1-7(11)9(15)13-5-3-4-6-14-10(16)8(2)12;;/h7-8H,3-6,11-12H2,1-2H3,(H,13,15)(H,14,16);2*1H/t7-,8-;;/m0../s1
InChIKeyQETNDVHLGZLUIN-FOMWZSOGSA-N
MW303.23 g/mol
LogP-8.73
Rot. Bonds7

About [(2S)-1-[4-[[(2S)-2-azaniumylpropanoyl]amino]butylamino]-1-oxopropan-2-yl]azanium dichloride

[(2S)-1-[4-[[(2S)-2-azaniumylpropanoyl]amino]butylamino]-1-oxopropan-2-yl]azanium dichloride (PubChem CID 10494630) has the molecular formula C10H24Cl2N4O2 and a molecular weight of 303.23 g/mol. Its IUPAC name is [(2S)-1-[4-[[(2S)-2-azaniumylpropanoyl]amino]butylamino]-1-oxopropan-2-yl]azanium dichloride.

Molecular Properties

Compound Name[(2S)-1-[4-[[(2S)-2-azaniumylpropanoyl]amino]butylamino]-1-oxopropan-2-yl]azanium dichloride
PubChem CID10494630
Molecular FormulaC10H24Cl2N4O2
Molecular Weight303.23 g/mol
Exact Mass302.13
IUPAC Name[(2S)-1-[4-[[(2S)-2-azaniumylpropanoyl]amino]butylamino]-1-oxopropan-2-yl]azanium dichloride
SMILESC[C@H]([NH3+])C(=O)NCCCCNC(=O)[C@H](C)[NH3+].[Cl-].[Cl-]
InChIInChI=1S/C10H22N4O2.2ClH/c1-7(11)9(15)13-5-3-4-6-14-10(16)8(2)12;;/h7-8H,3-6,11-12H2,1-2H3,(H,13,15)(H,14,16);2*1H/t7-,8-;;/m0../s1
InChIKeyQETNDVHLGZLUIN-FOMWZSOGSA-N
XLogP-8.73
TPSA113.48 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 5-8.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(2S)-1-[4-[[(2S)-2-azaniumylpropanoyl]amino]butylamino]-1-oxopropan-2-yl]azanium dichloride with MolForge

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Related Compounds

[(2R)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]azanium
CID 140645046
2-methyl-N-[4-(methylamino)butyl]propanamide
CID 134337431
N-(4-iodobutyl)-2-methylpropanamide
CID 106846400
2-methyl-N-(6-methylheptyl)propanamide
CID 139441078
N-(7-aminoheptyl)-2-methylpropanamide
CID 89281092
2-methyl-N-(9-methyl-8-oxodecyl)propanamide
CID 167573684
[1-(hydroxyamino)-1-oxopropan-2-yl]azanium
CID 78443389
(2S)-2-amino-N-[8-[[(2S)-2-amino-3-methylbutanoyl]amino]octyl]-3-methylbutanamide
CID 101248769
N-(3-aminopropyl)-2-methylpropanamide;hydrochloride
CID 71757297
N-(7,7-dimethyloct-5-ynyl)-2-methylpropanamide
CID 176777066
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-methylpropanamide
CID 154982765
2-bromo-N-(4-cyanobutyl)propanamide
CID 107905319

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[4-[[(2S)-2-azaniumylpropanoyl]amino]butylamino]-1-oxopropan-2-yl]azanium dichloride?
The IUPAC name of [(2S)-1-[4-[[(2S)-2-azaniumylpropanoyl]amino]butylamino]-1-oxopropan-2-yl]azanium dichloride (CID 10494630) is [(2S)-1-[4-[[(2S)-2-azaniumylpropanoyl]amino]butylamino]-1-oxopropan-2-yl]azanium dichloride.
What is the SMILES notation for [(2S)-1-[4-[[(2S)-2-azaniumylpropanoyl]amino]butylamino]-1-oxopropan-2-yl]azanium dichloride?
The canonical SMILES for [(2S)-1-[4-[[(2S)-2-azaniumylpropanoyl]amino]butylamino]-1-oxopropan-2-yl]azanium dichloride is C[C@H]([NH3+])C(=O)NCCCCNC(=O)[C@H](C)[NH3+].[Cl-].[Cl-].
What is the InChIKey of [(2S)-1-[4-[[(2S)-2-azaniumylpropanoyl]amino]butylamino]-1-oxopropan-2-yl]azanium dichloride?
The InChIKey is QETNDVHLGZLUIN-FOMWZSOGSA-N. The full InChI is InChI=1S/C10H22N4O2.2ClH/c1-7(11)9(15)13-5-3-4-6-14-10(16)8(2)12;;/h7-8H,3-6,11-12H2,1-2H3,(H,13,15)(H,14,16);2*1H/t7-,8-;;/m0../s1.
What are the key properties of [(2S)-1-[4-[[(2S)-2-azaniumylpropanoyl]amino]butylamino]-1-oxopropan-2-yl]azanium dichloride?
[(2S)-1-[4-[[(2S)-2-azaniumylpropanoyl]amino]butylamino]-1-oxopropan-2-yl]azanium dichloride has a molecular weight of 303.23 g/mol, XLogP of -8.73, 7 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[4-[[(2S)-2-azaniumylpropanoyl]amino]butylamino]-1-oxopropan-2-yl]azanium dichloride is sourced from PubChem (CID 10494630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).