methyl 2-[5-hydroxypentyl(propyl)amino]acetate

C11H23NO3 — CID 55210802

IUPACmethyl 2-[5-hydroxypentyl(propyl)amino]acetate
SMILESCCCN(CCCCCO)CC(=O)OC
InChIInChI=1S/C11H23NO3/c1-3-7-12(10-11(14)15-2)8-5-4-6-9-13/h13H,3-10H2,1-2H3
InChIKeyQNRJIQJJVVJXAJ-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.03
Rot. Bonds9

About methyl 2-[5-hydroxypentyl(propyl)amino]acetate

methyl 2-[5-hydroxypentyl(propyl)amino]acetate (PubChem CID 55210802) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is methyl 2-[5-hydroxypentyl(propyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[5-hydroxypentyl(propyl)amino]acetate
PubChem CID55210802
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Namemethyl 2-[5-hydroxypentyl(propyl)amino]acetate
SMILESCCCN(CCCCCO)CC(=O)OC
InChIInChI=1S/C11H23NO3/c1-3-7-12(10-11(14)15-2)8-5-4-6-9-13/h13H,3-10H2,1-2H3
InChIKeyQNRJIQJJVVJXAJ-UHFFFAOYSA-N
XLogP1.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[5-hydroxypentyl(propyl)amino]acetate
CID 62229761
2-[5-hydroxypentyl(propyl)amino]acetic acid
CID 62228100
methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-butylamino]acetate
CID 58850907
methyl 2-[2-(2-hydroxyethoxy)ethyl-propylamino]acetate
CID 62013681
methyl 2-[3-(2-methoxyethoxy)propyl-propylamino]acetate
CID 103411947
6-[6-hydroxyhexyl(propyl)amino]hexan-1-ol
CID 87112073
methyl 2-[2-aminoethyl(propyl)amino]acetate
CID 63383086
methyl 2-[(2-butoxy-2-oxoethyl)-propylamino]acetate
CID 62012348
4-[4-hydroxybutyl(propyl)amino]butan-1-ol
CID 22184075
methyl 2-[(3-amino-3-oxopropyl)-propylamino]acetate
CID 62011552
methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]butanoate
CID 62027143
methyl 2-[5-aminopentyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 63383203

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-hydroxypentyl(propyl)amino]acetate?
The IUPAC name of methyl 2-[5-hydroxypentyl(propyl)amino]acetate (CID 55210802) is methyl 2-[5-hydroxypentyl(propyl)amino]acetate.
What is the SMILES notation for methyl 2-[5-hydroxypentyl(propyl)amino]acetate?
The canonical SMILES for methyl 2-[5-hydroxypentyl(propyl)amino]acetate is CCCN(CCCCCO)CC(=O)OC.
What is the InChIKey of methyl 2-[5-hydroxypentyl(propyl)amino]acetate?
The InChIKey is QNRJIQJJVVJXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-3-7-12(10-11(14)15-2)8-5-4-6-9-13/h13H,3-10H2,1-2H3.
What are the key properties of methyl 2-[5-hydroxypentyl(propyl)amino]acetate?
methyl 2-[5-hydroxypentyl(propyl)amino]acetate has a molecular weight of 217.31 g/mol, XLogP of 1.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-hydroxypentyl(propyl)amino]acetate is sourced from PubChem (CID 55210802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).