magnesium;2-[[(2S)-2,6-diaminohexanoyl]amino]acetic acid;hydride

C8H19MgN3O3 — CID 174953341

IUPACmagnesium;2-[[(2S)-2,6-diaminohexanoyl]amino]acetic acid;hydride
SMILESNCCCC[C@H](N)C(=O)NCC(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C8H17N3O3.Mg.2H/c9-4-2-1-3-6(10)8(14)11-5-7(12)13;;;/h6H,1-5,9-10H2,(H,11,14)(H,12,13);;;/q;+2;2*-1/t6-;;;/m0.../s1
InChIKeyULCWZJHIWVQHMU-GSUNZCPGSA-N
MW229.56 g/mol
LogP-1.51
Rot. Bonds7

About magnesium;2-[[(2S)-2,6-diaminohexanoyl]amino]acetic acid;hydride

magnesium;2-[[(2S)-2,6-diaminohexanoyl]amino]acetic acid;hydride (PubChem CID 174953341) has the molecular formula C8H19MgN3O3 and a molecular weight of 229.56 g/mol. Its IUPAC name is magnesium;2-[[(2S)-2,6-diaminohexanoyl]amino]acetic acid;hydride.

Molecular Properties

Compound Namemagnesium;2-[[(2S)-2,6-diaminohexanoyl]amino]acetic acid;hydride
PubChem CID174953341
Molecular FormulaC8H19MgN3O3
Molecular Weight229.56 g/mol
Exact Mass229.13
IUPAC Namemagnesium;2-[[(2S)-2,6-diaminohexanoyl]amino]acetic acid;hydride
SMILESNCCCC[C@H](N)C(=O)NCC(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C8H17N3O3.Mg.2H/c9-4-2-1-3-6(10)8(14)11-5-7(12)13;;;/h6H,1-5,9-10H2,(H,11,14)(H,12,13);;;/q;+2;2*-1/t6-;;;/m0.../s1
InChIKeyULCWZJHIWVQHMU-GSUNZCPGSA-N
XLogP-1.51
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.56
LogP ≤ 5-1.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2,6-diamino-N-[2-[[(2S)-2,6-diaminohexanoyl]amino]ethyl]hexanamide
CID 57079658
2-[[(2S,3R)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-hydroxybutanoyl]amino]acetic acid
CID 145456781
3-[[(2S)-2,6-diaminohexanoyl]amino]propanoic acid;dihydrochloride
CID 87503662
3-[[(2S)-2,6-diaminohexanoyl]amino]propanoic acid;oxalic acid
CID 87503030
2,6-diamino-N-[10-(2,6-diaminohexanoylamino)decyl]hexanamide
CID 4011235
(2S)-2,6-diamino-N-[6-[[(2S)-2,6-diaminohexanoyl]amino]hexyl]hexanamide
CID 100984594
2-[[2-[[2-(2,6-diaminohexanoylamino)acetyl]amino]-4-methylsulfanylbutanoyl]amino]acetic acid
CID 18305320
2,6-diamino-N-prop-2-ynylhexanamide
CID 118953139
2-[[(2R)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]acetic acid
CID 175922189
2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid
CID 145456579
(2S)-6-amino-2-[[2-[[(2S)-6-amino-2-[[2-[[(2S)-2,6-diaminohexanoyl]amino]acetyl]amino]hexanoyl]amino]acetyl]amino]hexanoic acid
CID 134826235
(2S)-2,6-diamino-N-[4-(4-aminobutylamino)butyl]hexanamide
CID 11022527

Frequently Asked Questions

What is the IUPAC name of magnesium;2-[[(2S)-2,6-diaminohexanoyl]amino]acetic acid;hydride?
The IUPAC name of magnesium;2-[[(2S)-2,6-diaminohexanoyl]amino]acetic acid;hydride (CID 174953341) is magnesium;2-[[(2S)-2,6-diaminohexanoyl]amino]acetic acid;hydride.
What is the SMILES notation for magnesium;2-[[(2S)-2,6-diaminohexanoyl]amino]acetic acid;hydride?
The canonical SMILES for magnesium;2-[[(2S)-2,6-diaminohexanoyl]amino]acetic acid;hydride is NCCCC[C@H](N)C(=O)NCC(=O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;2-[[(2S)-2,6-diaminohexanoyl]amino]acetic acid;hydride?
The InChIKey is ULCWZJHIWVQHMU-GSUNZCPGSA-N. The full InChI is InChI=1S/C8H17N3O3.Mg.2H/c9-4-2-1-3-6(10)8(14)11-5-7(12)13;;;/h6H,1-5,9-10H2,(H,11,14)(H,12,13);;;/q;+2;2*-1/t6-;;;/m0.../s1.
What are the key properties of magnesium;2-[[(2S)-2,6-diaminohexanoyl]amino]acetic acid;hydride?
magnesium;2-[[(2S)-2,6-diaminohexanoyl]amino]acetic acid;hydride has a molecular weight of 229.56 g/mol, XLogP of -1.51, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-[[(2S)-2,6-diaminohexanoyl]amino]acetic acid;hydride is sourced from PubChem (CID 174953341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).