methyl 2-[2-(2-hydroxyethoxy)ethyl-propylamino]acetate

C10H21NO4 — CID 62013681

IUPACmethyl 2-[2-(2-hydroxyethoxy)ethyl-propylamino]acetate
SMILESCCCN(CCOCCO)CC(=O)OC
InChIInChI=1S/C10H21NO4/c1-3-4-11(9-10(13)14-2)5-7-15-8-6-12/h12H,3-9H2,1-2H3
InChIKeyCVXQFXIJVUELNH-UHFFFAOYSA-N
MW219.28 g/mol
LogP-0.12
Rot. Bonds9

About methyl 2-[2-(2-hydroxyethoxy)ethyl-propylamino]acetate

methyl 2-[2-(2-hydroxyethoxy)ethyl-propylamino]acetate (PubChem CID 62013681) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is methyl 2-[2-(2-hydroxyethoxy)ethyl-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-hydroxyethoxy)ethyl-propylamino]acetate
PubChem CID62013681
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Namemethyl 2-[2-(2-hydroxyethoxy)ethyl-propylamino]acetate
SMILESCCCN(CCOCCO)CC(=O)OC
InChIInChI=1S/C10H21NO4/c1-3-4-11(9-10(13)14-2)5-7-15-8-6-12/h12H,3-9H2,1-2H3
InChIKeyCVXQFXIJVUELNH-UHFFFAOYSA-N
XLogP-0.12
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(2-methoxy-2-oxoethyl)-(2-propoxyethyl)amino]acetate
CID 106456115
methyl 2-[3-(2-methoxyethoxy)propyl-propylamino]acetate
CID 103411947
methyl 2-[5-hydroxypentyl(propyl)amino]acetate
CID 55210802
methyl 2-[2-aminoethyl(propyl)amino]acetate
CID 63383086
methyl 2-[(2-butoxy-2-oxoethyl)-propylamino]acetate
CID 62012348
methyl 2-[(3-amino-3-oxopropyl)-propylamino]acetate
CID 62011552
methyl 3-[2-(2-hydroxyethoxy)ethyl-[3-(methylamino)-3-oxopropyl]amino]propanoate
CID 118657519
methyl 3-[2-(2-hydroxyethoxy)ethyl-methylamino]propanoate
CID 62010681
methyl 2-[bis[2-(diethylamino)ethyl]amino]acetate
CID 142240195
2-[2-[ethyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol
CID 54156133
methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-butylamino]acetate
CID 58850907
methyl 2-[2-ethylbutyl(propyl)amino]acetate
CID 78978764

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-hydroxyethoxy)ethyl-propylamino]acetate?
The IUPAC name of methyl 2-[2-(2-hydroxyethoxy)ethyl-propylamino]acetate (CID 62013681) is methyl 2-[2-(2-hydroxyethoxy)ethyl-propylamino]acetate.
What is the SMILES notation for methyl 2-[2-(2-hydroxyethoxy)ethyl-propylamino]acetate?
The canonical SMILES for methyl 2-[2-(2-hydroxyethoxy)ethyl-propylamino]acetate is CCCN(CCOCCO)CC(=O)OC.
What is the InChIKey of methyl 2-[2-(2-hydroxyethoxy)ethyl-propylamino]acetate?
The InChIKey is CVXQFXIJVUELNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-3-4-11(9-10(13)14-2)5-7-15-8-6-12/h12H,3-9H2,1-2H3.
What are the key properties of methyl 2-[2-(2-hydroxyethoxy)ethyl-propylamino]acetate?
methyl 2-[2-(2-hydroxyethoxy)ethyl-propylamino]acetate has a molecular weight of 219.28 g/mol, XLogP of -0.12, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-hydroxyethoxy)ethyl-propylamino]acetate is sourced from PubChem (CID 62013681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).