2-(2-methylpropoxy)ethyl 2-(ethylamino)acetate

C10H21NO3 — CID 106448275

IUPAC2-(2-methylpropoxy)ethyl 2-(ethylamino)acetate
SMILESCCNCC(=O)OCCOCC(C)C
InChIInChI=1S/C10H21NO3/c1-4-11-7-10(12)14-6-5-13-8-9(2)3/h9,11H,4-8H2,1-3H3
InChIKeyJWNRHUHZKGHFGQ-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.81
Rot. Bonds8

About 2-(2-methylpropoxy)ethyl 2-(ethylamino)acetate

2-(2-methylpropoxy)ethyl 2-(ethylamino)acetate (PubChem CID 106448275) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-(2-methylpropoxy)ethyl 2-(ethylamino)acetate.

Molecular Properties

Compound Name2-(2-methylpropoxy)ethyl 2-(ethylamino)acetate
PubChem CID106448275
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-(2-methylpropoxy)ethyl 2-(ethylamino)acetate
SMILESCCNCC(=O)OCCOCC(C)C
InChIInChI=1S/C10H21NO3/c1-4-11-7-10(12)14-6-5-13-8-9(2)3/h9,11H,4-8H2,1-3H3
InChIKeyJWNRHUHZKGHFGQ-UHFFFAOYSA-N
XLogP0.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.81
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

2-(2-methylpropoxy)ethyl 3-amino-3-methylbutanoate
CID 106448152
2-(2-methylpropoxy)ethyl 3-aminopentanoate
CID 106448091
1-O-[2-[2-[3-(2-methylpropoxy)-3-oxopropanoyl]oxyethoxy]ethyl] 3-O-(2-methylpropyl) propanedioate
CID 118298690
2-(2-methylpropoxy)ethyl acetate
CID 520944
2-(2-methylpropoxy)ethyl 3-(aminomethyl)pentanoate
CID 106447989
2-(2-methylpropoxy)ethyl 2-(4-methylanilino)acetate
CID 106448186
2-(2-methylpropoxy)ethyl 2-(4-hydroxyanilino)acetate
CID 106448108
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 6428226
2-(2-methylpropoxy)ethyl (2S)-3-amino-2-hydroxypropanoate
CID 107837701
butyl 2-[2-(2-methylpropoxy)ethoxy]acetate
CID 106446661
2-(2-methylpropoxy)ethyl 2-(1-aminocyclobutyl)acetate
CID 106448206
2-(2-methylpropoxy)ethyl (3S)-3-(aminomethyl)-5-methylhexanoate
CID 106448050

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)ethyl 2-(ethylamino)acetate?
The IUPAC name of 2-(2-methylpropoxy)ethyl 2-(ethylamino)acetate (CID 106448275) is 2-(2-methylpropoxy)ethyl 2-(ethylamino)acetate.
What is the SMILES notation for 2-(2-methylpropoxy)ethyl 2-(ethylamino)acetate?
The canonical SMILES for 2-(2-methylpropoxy)ethyl 2-(ethylamino)acetate is CCNCC(=O)OCCOCC(C)C.
What is the InChIKey of 2-(2-methylpropoxy)ethyl 2-(ethylamino)acetate?
The InChIKey is JWNRHUHZKGHFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-4-11-7-10(12)14-6-5-13-8-9(2)3/h9,11H,4-8H2,1-3H3.
What are the key properties of 2-(2-methylpropoxy)ethyl 2-(ethylamino)acetate?
2-(2-methylpropoxy)ethyl 2-(ethylamino)acetate has a molecular weight of 203.28 g/mol, XLogP of 0.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)ethyl 2-(ethylamino)acetate is sourced from PubChem (CID 106448275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).