tert-butyl 2-(2-hydroxyethylamino)acetate

C8H17NO3 — CID 11062917

IUPACtert-butyl 2-(2-hydroxyethylamino)acetate
SMILESCC(C)(C)OC(=O)CNCCO
InChIInChI=1S/C8H17NO3/c1-8(2,3)12-7(11)6-9-4-5-10/h9-10H,4-6H2,1-3H3
InChIKeyJXBSKIRFSUEEEK-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.09
Rot. Bonds4

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

tert-butyl 2-(2-hydroxyethylamino)acetate (PubChem CID 11062917) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is tert-butyl 2-(2-hydroxyethylamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2-hydroxyethylamino)acetate
PubChem CID11062917
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Nametert-butyl 2-(2-hydroxyethylamino)acetate
SMILESCC(C)(C)OC(=O)CNCCO
InChIInChI=1S/C8H17NO3/c1-8(2,3)12-7(11)6-9-4-5-10/h9-10H,4-6H2,1-3H3
InChIKeyJXBSKIRFSUEEEK-UHFFFAOYSA-N
XLogP-0.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.09
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

DI-T-Butyl iminodiacetate
CID 4393691
Ethyl 2-(tert-butylamino)acetate
CID 2777441
Ethyl 2-(isobutylamino)acetate
CID 10877410
Tert-butyl 2-((propan-2-yl)amino)acetate
CID 11469352
tert-Butyl 3-((2-hydroxyethyl)amino)propanoate
CID 18693831
Tert-butyl 2-((2-methoxyethyl)amino)acetate
CID 18925475
Methyl 2-((2-(tert-butoxy)-2-oxoethyl)amino)acetate
CID 21643695
n,n-Bis(t-butyl-4-carboxymethyl)aminoethanol
CID 10017055
N-(Carboxymethyl)-glycine tert-butyl ester
CID 10750156
Ethyl 2-(2-hydroxypropan-2-ylamino)acetate
CID 57315041
Tert-butyl (3-hydroxypropylamino)-acetate
CID 60678886
Tert-butyl 2-(tert-butylamino)acetate
CID 7020161

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-hydroxyethylamino)acetate?
The IUPAC name of tert-butyl 2-(2-hydroxyethylamino)acetate (CID 11062917) is tert-butyl 2-(2-hydroxyethylamino)acetate.
What is the SMILES notation for tert-butyl 2-(2-hydroxyethylamino)acetate?
The canonical SMILES for tert-butyl 2-(2-hydroxyethylamino)acetate is CC(C)(C)OC(=O)CNCCO.
What is the InChIKey of tert-butyl 2-(2-hydroxyethylamino)acetate?
The InChIKey is JXBSKIRFSUEEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-8(2,3)12-7(11)6-9-4-5-10/h9-10H,4-6H2,1-3H3.
What are the key properties of tert-butyl 2-(2-hydroxyethylamino)acetate?
tert-butyl 2-(2-hydroxyethylamino)acetate has a molecular weight of 175.23 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-hydroxyethylamino)acetate is sourced from PubChem (CID 11062917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).