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

C8H16N2O3 — CID 51674682

IUPACethyl 2-[[(1Z)-1-hydroxyimino-2-methylpropan-2-yl]amino]acetate
SMILESCCOC(=O)CNC(C)(C)/C=N\O
InChIInChI=1S/C8H16N2O3/c1-4-13-7(11)5-9-8(2,3)6-10-12/h6,9,12H,4-5H2,1-3H3/b10-6-
InChIKeyTUILDKIVQAROHZ-POHAHGRESA-N
MW188.23 g/mol
LogP0.38
Rot. Bonds5

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

ethyl 2-[[(1Z)-1-hydroxyimino-2-methylpropan-2-yl]amino]acetate (PubChem CID 51674682) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is ethyl 2-[[(1Z)-1-hydroxyimino-2-methylpropan-2-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(1Z)-1-hydroxyimino-2-methylpropan-2-yl]amino]acetate
PubChem CID51674682
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Nameethyl 2-[[(1Z)-1-hydroxyimino-2-methylpropan-2-yl]amino]acetate
SMILESCCOC(=O)CNC(C)(C)/C=N\O
InChIInChI=1S/C8H16N2O3/c1-4-13-7(11)5-9-8(2,3)6-10-12/h6,9,12H,4-5H2,1-3H3/b10-6-
InChIKeyTUILDKIVQAROHZ-POHAHGRESA-N
XLogP0.38
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate
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(2-ethoxy-2-oxoethyl)carbamothioic S-acid
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diethyl propanedioate;titanium
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(1Z)-1-hydroxyimino-2-methylpropan-2-yl]amino]acetate?
The IUPAC name of ethyl 2-[[(1Z)-1-hydroxyimino-2-methylpropan-2-yl]amino]acetate (CID 51674682) is ethyl 2-[[(1Z)-1-hydroxyimino-2-methylpropan-2-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[(1Z)-1-hydroxyimino-2-methylpropan-2-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[(1Z)-1-hydroxyimino-2-methylpropan-2-yl]amino]acetate is CCOC(=O)CNC(C)(C)/C=N\O.
What is the InChIKey of ethyl 2-[[(1Z)-1-hydroxyimino-2-methylpropan-2-yl]amino]acetate?
The InChIKey is TUILDKIVQAROHZ-POHAHGRESA-N. The full InChI is InChI=1S/C8H16N2O3/c1-4-13-7(11)5-9-8(2,3)6-10-12/h6,9,12H,4-5H2,1-3H3/b10-6-.
What are the key properties of ethyl 2-[[(1Z)-1-hydroxyimino-2-methylpropan-2-yl]amino]acetate?
ethyl 2-[[(1Z)-1-hydroxyimino-2-methylpropan-2-yl]amino]acetate has a molecular weight of 188.23 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(1Z)-1-hydroxyimino-2-methylpropan-2-yl]amino]acetate is sourced from PubChem (CID 51674682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).