ethyl 2-[(2-methylpropan-2-yl)oxyamino]acetate

C8H17NO3 — CID 82723991

IUPACethyl 2-[(2-methylpropan-2-yl)oxyamino]acetate
SMILESCCOC(=O)CNOC(C)(C)C
InChIInChI=1S/C8H17NO3/c1-5-11-7(10)6-9-12-8(2,3)4/h9H,5-6H2,1-4H3
InChIKeyOXRYDPQCQYADPP-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.87
Rot. Bonds4

About ethyl 2-[(2-methylpropan-2-yl)oxyamino]acetate

ethyl 2-[(2-methylpropan-2-yl)oxyamino]acetate (PubChem CID 82723991) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is ethyl 2-[(2-methylpropan-2-yl)oxyamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-methylpropan-2-yl)oxyamino]acetate
PubChem CID82723991
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Nameethyl 2-[(2-methylpropan-2-yl)oxyamino]acetate
SMILESCCOC(=O)CNOC(C)(C)C
InChIInChI=1S/C8H17NO3/c1-5-11-7(10)6-9-12-8(2,3)4/h9H,5-6H2,1-4H3
InChIKeyOXRYDPQCQYADPP-UHFFFAOYSA-N
XLogP0.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 2-[(2-methylpropan-2-yl)oxyamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(chlorooxyamino)acetate
CID 18800647
(2-ethoxy-2-oxoethyl)carbamic acid
CID 18800943
ethyl 2-(carbamoyl(15N)amino)acetate
CID 46781708
(2-ethoxy-2-oxoethyl)carbamothioic S-acid
CID 123218548
ethyl 2-[(2-amino-2-oxoethoxy)amino]acetate
CID 112673717
ethyl 2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetate
CID 170102656
ethyl 2-(2,2-dimethylpentylamino)acetate
CID 115257590
ethyl 2-(2,2,3-trimethylbutylamino)acetate
CID 107095555
ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate
CID 18320032
diethyl propanedioate;titanium
CID 174779178
diethyl propanedioate;ethane
CID 123991095
3-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428456

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methylpropan-2-yl)oxyamino]acetate?
The IUPAC name of ethyl 2-[(2-methylpropan-2-yl)oxyamino]acetate (CID 82723991) is ethyl 2-[(2-methylpropan-2-yl)oxyamino]acetate.
What is the SMILES notation for ethyl 2-[(2-methylpropan-2-yl)oxyamino]acetate?
The canonical SMILES for ethyl 2-[(2-methylpropan-2-yl)oxyamino]acetate is CCOC(=O)CNOC(C)(C)C.
What is the InChIKey of ethyl 2-[(2-methylpropan-2-yl)oxyamino]acetate?
The InChIKey is OXRYDPQCQYADPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-5-11-7(10)6-9-12-8(2,3)4/h9H,5-6H2,1-4H3.
What are the key properties of ethyl 2-[(2-methylpropan-2-yl)oxyamino]acetate?
ethyl 2-[(2-methylpropan-2-yl)oxyamino]acetate has a molecular weight of 175.23 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methylpropan-2-yl)oxyamino]acetate is sourced from PubChem (CID 82723991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).