tert-butyl 2-(2-methoxyethylamino)acetate

C9H19NO3 — CID 18925475

IUPACtert-butyl 2-(2-methoxyethylamino)acetate
SMILESCOCCNCC(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO3/c1-9(2,3)13-8(11)7-10-5-6-12-4/h10H,5-7H2,1-4H3
InChIKeyWZZARLZSGLWDMC-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.56
Rot. Bonds5

About tert-butyl 2-(2-methoxyethylamino)acetate

tert-butyl 2-(2-methoxyethylamino)acetate (PubChem CID 18925475) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is tert-butyl 2-(2-methoxyethylamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2-methoxyethylamino)acetate
PubChem CID18925475
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Nametert-butyl 2-(2-methoxyethylamino)acetate
SMILESCOCCNCC(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO3/c1-9(2,3)13-8(11)7-10-5-6-12-4/h10H,5-7H2,1-4H3
InChIKeyWZZARLZSGLWDMC-UHFFFAOYSA-N
XLogP0.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.56
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-(ethylamino)acetate
CID 12591597
DI-T-Butyl iminodiacetate
CID 4393691
Ethyl 2-((propan-2-yl)amino)acetate
CID 351625
Tert-butyl 2-(methylamino)acetate
CID 5069406
tert-butyl (2S)-2-(methylamino)propanoate hydrochloride
CID 11298515
Tert-butyl 2-acetamidoacetate
CID 11715255
Ethyl 2-(propylamino)acetate
CID 13454968
Tert-butyl 3-((2-methoxyethyl)amino)propanoate
CID 42656843
Sarcosine t-butyl ester hydrochloride
CID 11252350
Methyl 3-((2-(tert-butoxy)-2-oxoethyl)amino)propanoate
CID 14845245
Ethyl 2-(pentylamino)acetate
CID 10035079
Ethyl 2-(tert-butylamino)acetate
CID 2777441

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-methoxyethylamino)acetate?
The IUPAC name of tert-butyl 2-(2-methoxyethylamino)acetate (CID 18925475) is tert-butyl 2-(2-methoxyethylamino)acetate.
What is the SMILES notation for tert-butyl 2-(2-methoxyethylamino)acetate?
The canonical SMILES for tert-butyl 2-(2-methoxyethylamino)acetate is COCCNCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(2-methoxyethylamino)acetate?
The InChIKey is WZZARLZSGLWDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-9(2,3)13-8(11)7-10-5-6-12-4/h10H,5-7H2,1-4H3.
What are the key properties of tert-butyl 2-(2-methoxyethylamino)acetate?
tert-butyl 2-(2-methoxyethylamino)acetate has a molecular weight of 189.25 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-methoxyethylamino)acetate is sourced from PubChem (CID 18925475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).