[(5S)-6-methoxy-5-[[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]acetyl]amino]-6-oxohexyl]azanium

C16H34N3O6+ — CID 140598484

IUPAC[(5S)-6-methoxy-5-[[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]acetyl]amino]-6-oxohexyl]azanium
SMILESCNCCOCCOCCOCC(=O)N[C@@H](CCCC[NH3+])C(=O)OC
InChIInChI=1S/C16H33N3O6/c1-18-7-8-23-9-10-24-11-12-25-13-15(20)19-14(16(21)22-2)5-3-4-6-17/h14,18H,3-13,17H2,1-2H3,(H,19,20)/p+1/t14-/m0/s1
InChIKeyBZOSIVBZJPQRTK-AWEZNQCLSA-O
MW364.46 g/mol
LogP-1.67
Rot. Bonds17

About [(5S)-6-methoxy-5-[[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]acetyl]amino]-6-oxohexyl]azanium

[(5S)-6-methoxy-5-[[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]acetyl]amino]-6-oxohexyl]azanium (PubChem CID 140598484) has the molecular formula C16H34N3O6+ and a molecular weight of 364.46 g/mol. Its IUPAC name is [(5S)-6-methoxy-5-[[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]acetyl]amino]-6-oxohexyl]azanium.

Molecular Properties

Compound Name[(5S)-6-methoxy-5-[[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]acetyl]amino]-6-oxohexyl]azanium
PubChem CID140598484
Molecular FormulaC16H34N3O6+
Molecular Weight364.46 g/mol
Exact Mass364.24
IUPAC Name[(5S)-6-methoxy-5-[[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]acetyl]amino]-6-oxohexyl]azanium
SMILESCNCCOCCOCCOCC(=O)N[C@@H](CCCC[NH3+])C(=O)OC
InChIInChI=1S/C16H33N3O6/c1-18-7-8-23-9-10-24-11-12-25-13-15(20)19-14(16(21)22-2)5-3-4-6-17/h14,18H,3-13,17H2,1-2H3,(H,19,20)/p+1/t14-/m0/s1
InChIKeyBZOSIVBZJPQRTK-AWEZNQCLSA-O
XLogP-1.67
TPSA122.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[[2-(2-butoxyethoxy)acetyl]amino]-7-methyloctanamide
CID 153389526
methyl 2-[(2-ethoxyacetyl)amino]hexanoate
CID 156704920
methyl 6-[[2-[2-[2-[2-[[1-amino-2,6-bis[[2-[2-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]hexylidene]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-2-[[2-[2-[2-[2-[2,6-bis[[2-[2-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanoylamino]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanoate
CID 58701325
methyl 3-hydroxy-2-[[2-(2-methoxyethoxy)acetyl]amino]propanoate
CID 43422807
2-[[2-(2-propoxyethoxy)acetyl]amino]heptanamide
CID 147884881
18-[[(1S)-1-carboxy-4-[2-[2-[2-[2-[2-[2-[[(1S)-1-carboxy-4-[[(5R)-6-methoxy-5-(methylamino)-6-oxohexyl]amino]-4-oxobutyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 171750582
[(5S)-6-methoxy-5-[[(Z)-octadec-9-enoyl]amino]-6-oxohexyl]azanium
CID 142402364
6-amino-2-[3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propanoylamino]-N-[2-[2-[2-[2-[2-[2-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]hexanamide
CID 176691700
2-[[2-[2-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]heptanoic acid
CID 123976668
6-[(2-aminoacetyl)amino]-2-[[2-(2-propoxyethoxy)acetyl]amino]hexanoic acid
CID 139325563
(2R)-6-[(2-bromoacetyl)amino]-2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]hexanoic acid
CID 130368722
N-methyl-2-[2-(methylamino)ethoxy]acetamide
CID 54595045

Frequently Asked Questions

What is the IUPAC name of [(5S)-6-methoxy-5-[[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]acetyl]amino]-6-oxohexyl]azanium?
The IUPAC name of [(5S)-6-methoxy-5-[[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]acetyl]amino]-6-oxohexyl]azanium (CID 140598484) is [(5S)-6-methoxy-5-[[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]acetyl]amino]-6-oxohexyl]azanium.
What is the SMILES notation for [(5S)-6-methoxy-5-[[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]acetyl]amino]-6-oxohexyl]azanium?
The canonical SMILES for [(5S)-6-methoxy-5-[[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]acetyl]amino]-6-oxohexyl]azanium is CNCCOCCOCCOCC(=O)N[C@@H](CCCC[NH3+])C(=O)OC.
What is the InChIKey of [(5S)-6-methoxy-5-[[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]acetyl]amino]-6-oxohexyl]azanium?
The InChIKey is BZOSIVBZJPQRTK-AWEZNQCLSA-O. The full InChI is InChI=1S/C16H33N3O6/c1-18-7-8-23-9-10-24-11-12-25-13-15(20)19-14(16(21)22-2)5-3-4-6-17/h14,18H,3-13,17H2,1-2H3,(H,19,20)/p+1/t14-/m0/s1.
What are the key properties of [(5S)-6-methoxy-5-[[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]acetyl]amino]-6-oxohexyl]azanium?
[(5S)-6-methoxy-5-[[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]acetyl]amino]-6-oxohexyl]azanium has a molecular weight of 364.46 g/mol, XLogP of -1.67, 17 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-6-methoxy-5-[[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]acetyl]amino]-6-oxohexyl]azanium is sourced from PubChem (CID 140598484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).