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

C12H25NO3 — CID 62229761

IUPACethyl 2-[5-hydroxypentyl(propyl)amino]acetate
SMILESCCCN(CCCCCO)CC(=O)OCC
InChIInChI=1S/C12H25NO3/c1-3-8-13(9-6-5-7-10-14)11-12(15)16-4-2/h14H,3-11H2,1-2H3
InChIKeySASJFQXGWHZSSF-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.42
Rot. Bonds10

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

ethyl 2-[5-hydroxypentyl(propyl)amino]acetate (PubChem CID 62229761) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is ethyl 2-[5-hydroxypentyl(propyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[5-hydroxypentyl(propyl)amino]acetate
PubChem CID62229761
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Nameethyl 2-[5-hydroxypentyl(propyl)amino]acetate
SMILESCCCN(CCCCCO)CC(=O)OCC
InChIInChI=1S/C12H25NO3/c1-3-8-13(9-6-5-7-10-14)11-12(15)16-4-2/h14H,3-11H2,1-2H3
InChIKeySASJFQXGWHZSSF-UHFFFAOYSA-N
XLogP1.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.42
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-[ethyl(5-hydroxypentyl)amino]acetate
CID 55210801
methyl 2-[5-hydroxypentyl(propyl)amino]acetate
CID 55210802
ethyl 2-[ethyl(heptyl)amino]acetate
CID 55208036
2-[5-hydroxypentyl(propyl)amino]acetic acid
CID 62228100
methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]butanoate
CID 62027143
6-[6-hydroxyhexyl(propyl)amino]hexan-1-ol
CID 87112073
4-[4-hydroxybutyl(propyl)amino]butan-1-ol
CID 22184075
ethyl 2-[hexyl(prop-2-enyl)amino]acetate
CID 79002539
2-methoxyethyl 2-[hexyl-[2-(2-methoxyethoxy)-2-oxoethyl]amino]acetate
CID 101491584
octyl 5-[6-hydroxyhexyl-(5-octoxy-5-oxopentyl)amino]pentanoate
CID 163217974
hexyl 5-[(5-hexoxy-5-oxopentyl)-(6-hydroxyhexyl)amino]pentanoate
CID 163217999
dodecan-1-ol;ethyl 2-hydroxyacetate
CID 159384320

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-hydroxypentyl(propyl)amino]acetate?
The IUPAC name of ethyl 2-[5-hydroxypentyl(propyl)amino]acetate (CID 62229761) is ethyl 2-[5-hydroxypentyl(propyl)amino]acetate.
What is the SMILES notation for ethyl 2-[5-hydroxypentyl(propyl)amino]acetate?
The canonical SMILES for ethyl 2-[5-hydroxypentyl(propyl)amino]acetate is CCCN(CCCCCO)CC(=O)OCC.
What is the InChIKey of ethyl 2-[5-hydroxypentyl(propyl)amino]acetate?
The InChIKey is SASJFQXGWHZSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-3-8-13(9-6-5-7-10-14)11-12(15)16-4-2/h14H,3-11H2,1-2H3.
What are the key properties of ethyl 2-[5-hydroxypentyl(propyl)amino]acetate?
ethyl 2-[5-hydroxypentyl(propyl)amino]acetate has a molecular weight of 231.34 g/mol, XLogP of 1.42, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-hydroxypentyl(propyl)amino]acetate is sourced from PubChem (CID 62229761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).