[3-[[(2R)-3-hydroxy-1-(5-methylhexylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]azanide;rubidium(1+)

C13H26N3O3Rb — CID 171639589

IUPAC[3-[[(2R)-3-hydroxy-1-(5-methylhexylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]azanide;rubidium(1+)
SMILESCC(C)CCCCNC(=O)[C@@H](CO)NC(=O)CC[NH-].[Rb+]
InChIInChI=1S/C13H26N3O3.Rb/c1-10(2)5-3-4-8-15-13(19)11(9-17)16-12(18)6-7-14;/h10-11,14,17H,3-9H2,1-2H3,(H,15,19)(H,16,18);/q-1;+1/t11-;/m1./s1
InChIKeyGTYWKSCFCVMWJA-RFVHGSKJSA-N
MW357.84 g/mol
LogP-2.15
Rot. Bonds10

About [3-[[(2R)-3-hydroxy-1-(5-methylhexylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]azanide;rubidium(1+)

[3-[[(2R)-3-hydroxy-1-(5-methylhexylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]azanide;rubidium(1+) (PubChem CID 171639589) has the molecular formula C13H26N3O3Rb and a molecular weight of 357.84 g/mol. Its IUPAC name is [3-[[(2R)-3-hydroxy-1-(5-methylhexylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]azanide;rubidium(1+).

Molecular Properties

Compound Name[3-[[(2R)-3-hydroxy-1-(5-methylhexylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]azanide;rubidium(1+)
PubChem CID171639589
Molecular FormulaC13H26N3O3Rb
Molecular Weight357.84 g/mol
Exact Mass357.11
IUPAC Name[3-[[(2R)-3-hydroxy-1-(5-methylhexylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]azanide;rubidium(1+)
SMILESCC(C)CCCCNC(=O)[C@@H](CO)NC(=O)CC[NH-].[Rb+]
InChIInChI=1S/C13H26N3O3.Rb/c1-10(2)5-3-4-8-15-13(19)11(9-17)16-12(18)6-7-14;/h10-11,14,17H,3-9H2,1-2H3,(H,15,19)(H,16,18);/q-1;+1/t11-;/m1./s1
InChIKeyGTYWKSCFCVMWJA-RFVHGSKJSA-N
XLogP-2.15
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 5-2.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [3-[[(2R)-3-hydroxy-1-(5-methylhexylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]azanide;rubidium(1+) with MolForge

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Related Compounds

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2-methyl-N-(6-methylheptyl)propanamide
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CID 118013521
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CID 171639863
2-[3-(methylamino)propanoylamino]-6-(propan-2-ylamino)-N-[2-(propan-2-ylamino)ethyl]hexanamide
CID 171621363
(2S)-5-[[(2S)-6-(ethylamino)-1-(5-methylhexylamino)-1-oxohexan-2-yl]amino]-2-(hexadecanoylamino)-5-oxopentanoic acid
CID 175614156
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CID 18431763
3-hydroxy-N-[2-(5-methylhexylamino)-2-oxoethyl]propanamide
CID 176567984
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CID 146635024
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Frequently Asked Questions

What is the IUPAC name of [3-[[(2R)-3-hydroxy-1-(5-methylhexylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]azanide;rubidium(1+)?
The IUPAC name of [3-[[(2R)-3-hydroxy-1-(5-methylhexylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]azanide;rubidium(1+) (CID 171639589) is [3-[[(2R)-3-hydroxy-1-(5-methylhexylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]azanide;rubidium(1+).
What is the SMILES notation for [3-[[(2R)-3-hydroxy-1-(5-methylhexylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]azanide;rubidium(1+)?
The canonical SMILES for [3-[[(2R)-3-hydroxy-1-(5-methylhexylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]azanide;rubidium(1+) is CC(C)CCCCNC(=O)[C@@H](CO)NC(=O)CC[NH-].[Rb+].
What is the InChIKey of [3-[[(2R)-3-hydroxy-1-(5-methylhexylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]azanide;rubidium(1+)?
The InChIKey is GTYWKSCFCVMWJA-RFVHGSKJSA-N. The full InChI is InChI=1S/C13H26N3O3.Rb/c1-10(2)5-3-4-8-15-13(19)11(9-17)16-12(18)6-7-14;/h10-11,14,17H,3-9H2,1-2H3,(H,15,19)(H,16,18);/q-1;+1/t11-;/m1./s1.
What are the key properties of [3-[[(2R)-3-hydroxy-1-(5-methylhexylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]azanide;rubidium(1+)?
[3-[[(2R)-3-hydroxy-1-(5-methylhexylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]azanide;rubidium(1+) has a molecular weight of 357.84 g/mol, XLogP of -2.15, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(2R)-3-hydroxy-1-(5-methylhexylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]azanide;rubidium(1+) is sourced from PubChem (CID 171639589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).