methyl 2-amino-6-(2-aminopentanoyloxy)hexanoate

C12H24N2O4 — CID 155586890

IUPACmethyl 2-amino-6-(2-aminopentanoyloxy)hexanoate
SMILESCCCC(N)C(=O)OCCCCC(N)C(=O)OC
InChIInChI=1S/C12H24N2O4/c1-3-6-9(13)12(16)18-8-5-4-7-10(14)11(15)17-2/h9-10H,3-8,13-14H2,1-2H3
InChIKeySBNHDOSMWHWXQY-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.33
Rot. Bonds9

About methyl 2-amino-6-(2-aminopentanoyloxy)hexanoate

methyl 2-amino-6-(2-aminopentanoyloxy)hexanoate (PubChem CID 155586890) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is methyl 2-amino-6-(2-aminopentanoyloxy)hexanoate.

Molecular Properties

Compound Namemethyl 2-amino-6-(2-aminopentanoyloxy)hexanoate
PubChem CID155586890
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Namemethyl 2-amino-6-(2-aminopentanoyloxy)hexanoate
SMILESCCCC(N)C(=O)OCCCCC(N)C(=O)OC
InChIInChI=1S/C12H24N2O4/c1-3-6-9(13)12(16)18-8-5-4-7-10(14)11(15)17-2/h9-10H,3-8,13-14H2,1-2H3
InChIKeySBNHDOSMWHWXQY-UHFFFAOYSA-N
XLogP0.33
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-aminopentanoate
CID 533890
heptyl (2R)-2-aminopentanoate
CID 107565724
heptyl 2-aminopentanoate
CID 61302463
dodecyl 2-aminododecanoate
CID 175586127
methyl 2-aminoheptadecanoate
CID 140839752
methyl (2S)-2-aminotridecanoate
CID 88583666
methyl 2-aminononadecanoate
CID 140839745
methyl (2S)-2-aminohexanoate
CID 7018840
hexadecyl (2S)-2-aminohexanoate
CID 10808138
octadecyl (2R)-2,6-diaminohexanoate
CID 98551343
nonadecyl (2S)-2,6-diaminohexanoate
CID 54272011
octyl (2S)-2,6-diaminohexanoate;dihydrochloride
CID 157427819

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-(2-aminopentanoyloxy)hexanoate?
The IUPAC name of methyl 2-amino-6-(2-aminopentanoyloxy)hexanoate (CID 155586890) is methyl 2-amino-6-(2-aminopentanoyloxy)hexanoate.
What is the SMILES notation for methyl 2-amino-6-(2-aminopentanoyloxy)hexanoate?
The canonical SMILES for methyl 2-amino-6-(2-aminopentanoyloxy)hexanoate is CCCC(N)C(=O)OCCCCC(N)C(=O)OC.
What is the InChIKey of methyl 2-amino-6-(2-aminopentanoyloxy)hexanoate?
The InChIKey is SBNHDOSMWHWXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-3-6-9(13)12(16)18-8-5-4-7-10(14)11(15)17-2/h9-10H,3-8,13-14H2,1-2H3.
What are the key properties of methyl 2-amino-6-(2-aminopentanoyloxy)hexanoate?
methyl 2-amino-6-(2-aminopentanoyloxy)hexanoate has a molecular weight of 260.33 g/mol, XLogP of 0.33, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-(2-aminopentanoyloxy)hexanoate is sourced from PubChem (CID 155586890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).