propyl 2-(2-hydroxyethylamino)acetate

C7H15NO3 — CID 82358534

IUPACpropyl 2-(2-hydroxyethylamino)acetate
SMILESCCCOC(=O)CNCCO
InChIInChI=1S/C7H15NO3/c1-2-5-11-7(10)6-8-3-4-9/h8-9H,2-6H2,1H3
InChIKeyLYWFIFIQGBNSPA-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.48
Rot. Bonds6

About propyl 2-(2-hydroxyethylamino)acetate

propyl 2-(2-hydroxyethylamino)acetate (PubChem CID 82358534) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is propyl 2-(2-hydroxyethylamino)acetate.

Molecular Properties

Compound Namepropyl 2-(2-hydroxyethylamino)acetate
PubChem CID82358534
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Namepropyl 2-(2-hydroxyethylamino)acetate
SMILESCCCOC(=O)CNCCO
InChIInChI=1S/C7H15NO3/c1-2-5-11-7(10)6-8-3-4-9/h8-9H,2-6H2,1H3
InChIKeyLYWFIFIQGBNSPA-UHFFFAOYSA-N
XLogP-0.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propyl 2-(butylamino)acetate
CID 118604269
ethane;methyl 2-(2-hydroxyethylamino)acetate
CID 178001522
butyl 2-(octylamino)acetate
CID 115567498
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-(tridecylamino)acetate
CID 175685020
propyl 3-hydroxypropanoate
CID 12778693
propyl N-[(2R)-4-(2-hydroxyethylamino)-3-oxobutan-2-yl]-N-methylcarbamate
CID 168971485
2-methoxyethyl 2-(2-methoxyethylamino)acetate
CID 79271319
bis[2-(2-hydroxyethylamino)ethyl] propanedioate
CID 100927800
4-O-(2-hydroxyethyl) 1-O-propyl butanedioate
CID 87981334
octyl 2-[3-(dimethylamino)propylamino]acetate
CID 176847231
(3-methoxy-3-methylbutyl) 2-(propylamino)acetate
CID 106665959
hydride;3-oxo-3-propoxypropanoic acid;rubidium(1+)
CID 173091928

Frequently Asked Questions

What is the IUPAC name of propyl 2-(2-hydroxyethylamino)acetate?
The IUPAC name of propyl 2-(2-hydroxyethylamino)acetate (CID 82358534) is propyl 2-(2-hydroxyethylamino)acetate.
What is the SMILES notation for propyl 2-(2-hydroxyethylamino)acetate?
The canonical SMILES for propyl 2-(2-hydroxyethylamino)acetate is CCCOC(=O)CNCCO.
What is the InChIKey of propyl 2-(2-hydroxyethylamino)acetate?
The InChIKey is LYWFIFIQGBNSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-2-5-11-7(10)6-8-3-4-9/h8-9H,2-6H2,1H3.
What are the key properties of propyl 2-(2-hydroxyethylamino)acetate?
propyl 2-(2-hydroxyethylamino)acetate has a molecular weight of 161.20 g/mol, XLogP of -0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(2-hydroxyethylamino)acetate is sourced from PubChem (CID 82358534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).