ethyl 2-formamido-2-(oxan-4-yl)acetate

C10H17NO4 — CID 86612132

IUPACethyl 2-formamido-2-(oxan-4-yl)acetate
SMILESCCOC(=O)C(NC=O)C1CCOCC1
InChIInChI=1S/C10H17NO4/c1-2-15-10(13)9(11-7-12)8-3-5-14-6-4-8/h7-9H,2-6H2,1H3,(H,11,12)
InChIKeyGADXZUIOEUIAPI-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.09
Rot. Bonds5

About ethyl 2-formamido-2-(oxan-4-yl)acetate

ethyl 2-formamido-2-(oxan-4-yl)acetate (PubChem CID 86612132) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is ethyl 2-formamido-2-(oxan-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-formamido-2-(oxan-4-yl)acetate
PubChem CID86612132
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Nameethyl 2-formamido-2-(oxan-4-yl)acetate
SMILESCCOC(=O)C(NC=O)C1CCOCC1
InChIInChI=1S/C10H17NO4/c1-2-15-10(13)9(11-7-12)8-3-5-14-6-4-8/h7-9H,2-6H2,1H3,(H,11,12)
InChIKeyGADXZUIOEUIAPI-UHFFFAOYSA-N
XLogP0.09
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-cycloheptyl-2-formamidoacetate
CID 163197902
ethyl 2-(2-cyclopropyl-6-methyloxan-4-yl)-2-formamidoacetate
CID 123412216
ethyl (2S)-2-[(2S,4S,6R)-2-cyclopropyl-6-methyloxan-4-yl]-2-formamidoacetate
CID 118156831
ethyl 2-(4-chloroanilino)-2-(oxan-4-yl)acetate
CID 62387239
ethyl 2-amino-3-hydroxy-3-(oxan-4-yl)propanoate
CID 66206954
3-ethoxy-2-(oxan-4-yl)-3-oxopropanoic acid
CID 103973485
ethyl (2S)-2-[[(1R)-cyclohex-2-en-1-yl]amino]-2-(oxan-4-yl)acetate
CID 124885895
lithium;di(propan-2-yl)azanide;ethyl 2-bromo-2-(oxan-4-yl)acetate
CID 160833087
ethyl 2-(cyclohexylamino)-2-(oxolan-3-yl)acetate
CID 54892505
2-formamido-2-(oxolan-3-yl)acetic acid
CID 63690047
ethyl 3-cycloheptyl-2-formamido-3-hydroxypropanoate
CID 66205924
ethyl 2-[2-(dimethylamino)ethylamino]-2-(oxolan-3-yl)acetate
CID 54895186

Frequently Asked Questions

What is the IUPAC name of ethyl 2-formamido-2-(oxan-4-yl)acetate?
The IUPAC name of ethyl 2-formamido-2-(oxan-4-yl)acetate (CID 86612132) is ethyl 2-formamido-2-(oxan-4-yl)acetate.
What is the SMILES notation for ethyl 2-formamido-2-(oxan-4-yl)acetate?
The canonical SMILES for ethyl 2-formamido-2-(oxan-4-yl)acetate is CCOC(=O)C(NC=O)C1CCOCC1.
What is the InChIKey of ethyl 2-formamido-2-(oxan-4-yl)acetate?
The InChIKey is GADXZUIOEUIAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-2-15-10(13)9(11-7-12)8-3-5-14-6-4-8/h7-9H,2-6H2,1H3,(H,11,12).
What are the key properties of ethyl 2-formamido-2-(oxan-4-yl)acetate?
ethyl 2-formamido-2-(oxan-4-yl)acetate has a molecular weight of 215.25 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-formamido-2-(oxan-4-yl)acetate is sourced from PubChem (CID 86612132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).