[(2R,3R)-3-methyl-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentan-2-yl]azanium

C16H33N2O5+ — CID 7452509

IUPAC[(2R,3R)-3-methyl-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentan-2-yl]azanium
SMILESCC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCOCCOCCOCCOCC1
InChIInChI=1S/C16H32N2O5/c1-3-14(2)15(17)16(19)18-4-6-20-8-10-22-12-13-23-11-9-21-7-5-18/h14-15H,3-13,17H2,1-2H3/p+1/t14-,15-/m1/s1
InChIKeyKCQFPJIFWVOISO-HUUCEWRRSA-O
MW333.45 g/mol
LogP-0.45
Rot. Bonds3

About [(2R,3R)-3-methyl-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentan-2-yl]azanium

[(2R,3R)-3-methyl-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentan-2-yl]azanium (PubChem CID 7452509) has the molecular formula C16H33N2O5+ and a molecular weight of 333.45 g/mol. Its IUPAC name is [(2R,3R)-3-methyl-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentan-2-yl]azanium.

Molecular Properties

Compound Name[(2R,3R)-3-methyl-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentan-2-yl]azanium
PubChem CID7452509
Molecular FormulaC16H33N2O5+
Molecular Weight333.45 g/mol
Exact Mass333.24
IUPAC Name[(2R,3R)-3-methyl-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentan-2-yl]azanium
SMILESCC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCOCCOCCOCCOCC1
InChIInChI=1S/C16H32N2O5/c1-3-14(2)15(17)16(19)18-4-6-20-8-10-22-12-13-23-11-9-21-7-5-18/h14-15H,3-13,17H2,1-2H3/p+1/t14-,15-/m1/s1
InChIKeyKCQFPJIFWVOISO-HUUCEWRRSA-O
XLogP-0.45
TPSA84.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R,3R)-3-methyl-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentan-2-yl]azanium with MolForge

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Related Compounds

(2R)-2-hydroxy-1-morpholin-4-ylbutan-1-one
CID 69457105
[(2S,3S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]azanium
CID 23647689
2-chloro-1-morpholin-4-ylbutan-1-one
CID 62226878
[(2R,3R)-1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium
CID 6941406
(2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-1-one
CID 1121708
(2S)-2-hydroxy-3-methyl-1-morpholin-4-ylbutan-1-one
CID 69460030
2-isocyano-1-morpholin-4-ylbutan-1-one
CID 134865549
(2S)-2-chloro-1-morpholin-4-ylpropan-1-one
CID 2434799
2,4-dimethyl-5-oxo-5-(1,4,7-trioxa-10-azacyclododec-10-yl)pentanoic acid
CID 3095235
(2R)-2-amino-1-morpholin-4-ylpropan-1-one;hydrochloride
CID 156637014
2,3-dimethyl-1-morpholin-4-yl-4-piperazin-1-ylbutane-1,4-dione
CID 173096762
2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfinylbutanoic acid
CID 105355499

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-methyl-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentan-2-yl]azanium?
The IUPAC name of [(2R,3R)-3-methyl-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentan-2-yl]azanium (CID 7452509) is [(2R,3R)-3-methyl-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentan-2-yl]azanium.
What is the SMILES notation for [(2R,3R)-3-methyl-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentan-2-yl]azanium?
The canonical SMILES for [(2R,3R)-3-methyl-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentan-2-yl]azanium is CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCOCCOCCOCCOCC1.
What is the InChIKey of [(2R,3R)-3-methyl-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentan-2-yl]azanium?
The InChIKey is KCQFPJIFWVOISO-HUUCEWRRSA-O. The full InChI is InChI=1S/C16H32N2O5/c1-3-14(2)15(17)16(19)18-4-6-20-8-10-22-12-13-23-11-9-21-7-5-18/h14-15H,3-13,17H2,1-2H3/p+1/t14-,15-/m1/s1.
What are the key properties of [(2R,3R)-3-methyl-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentan-2-yl]azanium?
[(2R,3R)-3-methyl-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentan-2-yl]azanium has a molecular weight of 333.45 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-methyl-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentan-2-yl]azanium is sourced from PubChem (CID 7452509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).