ethyl 2-[5-hydroxypentyl(methyl)amino]propanoate

C11H23NO3 — CID 103768211

IUPACethyl 2-[5-hydroxypentyl(methyl)amino]propanoate
SMILESCCOC(=O)C(C)N(C)CCCCCO
InChIInChI=1S/C11H23NO3/c1-4-15-11(14)10(2)12(3)8-6-5-7-9-13/h10,13H,4-9H2,1-3H3
InChIKeyVAFGTBCNECSGRW-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.03
Rot. Bonds8

About ethyl 2-[5-hydroxypentyl(methyl)amino]propanoate

ethyl 2-[5-hydroxypentyl(methyl)amino]propanoate (PubChem CID 103768211) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is ethyl 2-[5-hydroxypentyl(methyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[5-hydroxypentyl(methyl)amino]propanoate
PubChem CID103768211
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nameethyl 2-[5-hydroxypentyl(methyl)amino]propanoate
SMILESCCOC(=O)C(C)N(C)CCCCCO
InChIInChI=1S/C11H23NO3/c1-4-15-11(14)10(2)12(3)8-6-5-7-9-13/h10,13H,4-9H2,1-3H3
InChIKeyVAFGTBCNECSGRW-UHFFFAOYSA-N
XLogP1.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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(methyl)amino]-2-phenylacetate
CID 107200700
methyl (2S)-2-[methyl(pentyl)amino]propanoate
CID 21097433
2-[6-hydroxyhexyl(methyl)amino]propanethioamide
CID 107703801
ethyl (2R)-2-[3-hydroxypropanoyl(methyl)amino]propanoate
CID 168971565
5-[1-aminobutan-2-yl(methyl)amino]pentan-1-ol
CID 107198475
ethyl (2S)-2-[2-[bis[(2R)-1-ethoxy-1-oxopropan-2-yl]amino]ethyl-[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]propanoate
CID 15468522
2-[butyl(methyl)amino]propanamide
CID 60644986
ethyl 2-[(2-hydroxy-2-methylpropyl)-methylamino]propanoate
CID 79386594
ethyl 2-[5-hydroxypentyl(propyl)amino]acetate
CID 62229761
(2S)-2-amino-N-(5-hydroxypentyl)-N-methylpropanamide
CID 107199234
N-(5-hydroxypentyl)-N-methylbutanamide
CID 107201974
3-[5-hydroxypentyl(methyl)amino]-2-methylbutanehydrazide
CID 107206484

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-hydroxypentyl(methyl)amino]propanoate?
The IUPAC name of ethyl 2-[5-hydroxypentyl(methyl)amino]propanoate (CID 103768211) is ethyl 2-[5-hydroxypentyl(methyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[5-hydroxypentyl(methyl)amino]propanoate?
The canonical SMILES for ethyl 2-[5-hydroxypentyl(methyl)amino]propanoate is CCOC(=O)C(C)N(C)CCCCCO.
What is the InChIKey of ethyl 2-[5-hydroxypentyl(methyl)amino]propanoate?
The InChIKey is VAFGTBCNECSGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-4-15-11(14)10(2)12(3)8-6-5-7-9-13/h10,13H,4-9H2,1-3H3.
What are the key properties of ethyl 2-[5-hydroxypentyl(methyl)amino]propanoate?
ethyl 2-[5-hydroxypentyl(methyl)amino]propanoate has a molecular weight of 217.31 g/mol, XLogP of 1.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-hydroxypentyl(methyl)amino]propanoate is sourced from PubChem (CID 103768211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).