methyl (2S)-2-[[(2S)-2-(methylamino)hexanoyl]amino]hexanoate;hydrobromide

C14H29BrN2O3 — CID 73353244

IUPACmethyl (2S)-2-[[(2S)-2-(methylamino)hexanoyl]amino]hexanoate;hydrobromide
SMILESBr.CCCC[C@H](NC)C(=O)N[C@@H](CCCC)C(=O)OC
InChIInChI=1S/C14H28N2O3.BrH/c1-5-7-9-11(15-3)13(17)16-12(10-8-6-2)14(18)19-4;/h11-12,15H,5-10H2,1-4H3,(H,16,17);1H/t11-,12-;/m0./s1
InChIKeyYKSXIERUTYKRBK-FXMYHANSSA-N
MW353.30 g/mol
LogP2.19
Rot. Bonds10

About methyl (2S)-2-[[(2S)-2-(methylamino)hexanoyl]amino]hexanoate;hydrobromide

methyl (2S)-2-[[(2S)-2-(methylamino)hexanoyl]amino]hexanoate;hydrobromide (PubChem CID 73353244) has the molecular formula C14H29BrN2O3 and a molecular weight of 353.30 g/mol. Its IUPAC name is methyl (2S)-2-[[(2S)-2-(methylamino)hexanoyl]amino]hexanoate;hydrobromide.

Molecular Properties

Compound Namemethyl (2S)-2-[[(2S)-2-(methylamino)hexanoyl]amino]hexanoate;hydrobromide
PubChem CID73353244
Molecular FormulaC14H29BrN2O3
Molecular Weight353.30 g/mol
Exact Mass352.14
IUPAC Namemethyl (2S)-2-[[(2S)-2-(methylamino)hexanoyl]amino]hexanoate;hydrobromide
SMILESBr.CCCC[C@H](NC)C(=O)N[C@@H](CCCC)C(=O)OC
InChIInChI=1S/C14H28N2O3.BrH/c1-5-7-9-11(15-3)13(17)16-12(10-8-6-2)14(18)19-4;/h11-12,15H,5-10H2,1-4H3,(H,16,17);1H/t11-,12-;/m0./s1
InChIKeyYKSXIERUTYKRBK-FXMYHANSSA-N
XLogP2.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-Acetyl-L-Lysine
CID 92907
Acetyllysine
CID 6991978
Valyllysine
CID 168058
Dilysine
CID 128837
Ala-Lys
CID 7016106
(2S)-2-acetamido-6-azaniumylhexanoate
CID 6992697
Leucyl-leucine-methyl ester
CID 7016877
Glycyl-L-lysine
CID 3080576
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]hexanoic Acid
CID 446461
(2S)-6-amino-2-[[2-[[(2S)-2,6-diaminohexanoyl]amino]acetyl]amino]hexanoic Acid
CID 444448
(R)-2-Acetamido-6-aminohexanoic acid
CID 23390002
N2-Acetyl-DL-lysine
CID 192590

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[(2S)-2-(methylamino)hexanoyl]amino]hexanoate;hydrobromide?
The IUPAC name of methyl (2S)-2-[[(2S)-2-(methylamino)hexanoyl]amino]hexanoate;hydrobromide (CID 73353244) is methyl (2S)-2-[[(2S)-2-(methylamino)hexanoyl]amino]hexanoate;hydrobromide.
What is the SMILES notation for methyl (2S)-2-[[(2S)-2-(methylamino)hexanoyl]amino]hexanoate;hydrobromide?
The canonical SMILES for methyl (2S)-2-[[(2S)-2-(methylamino)hexanoyl]amino]hexanoate;hydrobromide is Br.CCCC[C@H](NC)C(=O)N[C@@H](CCCC)C(=O)OC.
What is the InChIKey of methyl (2S)-2-[[(2S)-2-(methylamino)hexanoyl]amino]hexanoate;hydrobromide?
The InChIKey is YKSXIERUTYKRBK-FXMYHANSSA-N. The full InChI is InChI=1S/C14H28N2O3.BrH/c1-5-7-9-11(15-3)13(17)16-12(10-8-6-2)14(18)19-4;/h11-12,15H,5-10H2,1-4H3,(H,16,17);1H/t11-,12-;/m0./s1.
What are the key properties of methyl (2S)-2-[[(2S)-2-(methylamino)hexanoyl]amino]hexanoate;hydrobromide?
methyl (2S)-2-[[(2S)-2-(methylamino)hexanoyl]amino]hexanoate;hydrobromide has a molecular weight of 353.30 g/mol, XLogP of 2.19, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[(2S)-2-(methylamino)hexanoyl]amino]hexanoate;hydrobromide is sourced from PubChem (CID 73353244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).