ethyl 2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetate

C8H17NO3 — CID 18765533

IUPACethyl 2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetate
SMILESCCOC(=O)CNC(C)(C)CO
InChIInChI=1S/C8H17NO3/c1-4-12-7(11)5-9-8(2,3)6-10/h9-10H,4-6H2,1-3H3
InChIKeyWSSCLERPDAOOAL-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.09
Rot. Bonds5

About ethyl 2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetate

ethyl 2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetate (PubChem CID 18765533) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is ethyl 2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetate
PubChem CID18765533
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Nameethyl 2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetate
SMILESCCOC(=O)CNC(C)(C)CO
InChIInChI=1S/C8H17NO3/c1-4-12-7(11)5-9-8(2,3)6-10/h9-10H,4-6H2,1-3H3
InChIKeyWSSCLERPDAOOAL-UHFFFAOYSA-N
XLogP-0.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetate (CID 18765533) is ethyl 2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetate is CCOC(=O)CNC(C)(C)CO.
What is the InChIKey of ethyl 2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetate?
The InChIKey is WSSCLERPDAOOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-4-12-7(11)5-9-8(2,3)6-10/h9-10H,4-6H2,1-3H3.
What are the key properties of ethyl 2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetate?
ethyl 2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetate has a molecular weight of 175.23 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetate is sourced from PubChem (CID 18765533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).