ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-3-yl)acetate

C14H25NO5 — CID 71479909

IUPACethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-3-yl)acetate
SMILESCCOC(=O)C(NC(=O)OC(C)(C)C)C1CCCOC1
InChIInChI=1S/C14H25NO5/c1-5-19-12(16)11(10-7-6-8-18-9-10)15-13(17)20-14(2,3)4/h10-11H,5-9H2,1-4H3,(H,15,17)
InChIKeyHLKMNWASCUVFNI-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.87
Rot. Bonds4

About ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-3-yl)acetate

ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-3-yl)acetate (PubChem CID 71479909) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-3-yl)acetate
PubChem CID71479909
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Nameethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-3-yl)acetate
SMILESCCOC(=O)C(NC(=O)OC(C)(C)C)C1CCCOC1
InChIInChI=1S/C14H25NO5/c1-5-19-12(16)11(10-7-6-8-18-9-10)15-13(17)20-14(2,3)4/h10-11H,5-9H2,1-4H3,(H,15,17)
InChIKeyHLKMNWASCUVFNI-UHFFFAOYSA-N
XLogP1.87
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(methylamino)-2-(oxan-3-yl)acetate
CID 63740066
ethyl 2-(ethylamino)-2-(oxan-3-yl)acetate
CID 63740064
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-3-ylacetate
CID 133061149
tert-butyl N-[(1R)-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate
CID 98010402
tert-butyl N-[(1S)-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate
CID 98010403
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(4S)-oxepan-4-yl]acetic acid
CID 129322931
tert-butyl N-(oxan-3-yl)carbamate
CID 63789746
(2R)-2-(methoxycarbonylamino)-2-(oxan-3-yl)acetic acid
CID 67007770
ethyl (2S)-2-amino-2-[(3R)-oxan-3-yl]acetate
CID 96668920
ethyl (2R)-2-amino-2-[(3S)-oxan-3-yl]acetate
CID 96668917
ethyl 2-(cyclohexylamino)-2-(oxolan-3-yl)acetate
CID 54892505
chloromethyl 2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 165440604

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-3-yl)acetate?
The IUPAC name of ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-3-yl)acetate (CID 71479909) is ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-3-yl)acetate.
What is the SMILES notation for ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-3-yl)acetate?
The canonical SMILES for ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-3-yl)acetate is CCOC(=O)C(NC(=O)OC(C)(C)C)C1CCCOC1.
What is the InChIKey of ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-3-yl)acetate?
The InChIKey is HLKMNWASCUVFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-5-19-12(16)11(10-7-6-8-18-9-10)15-13(17)20-14(2,3)4/h10-11H,5-9H2,1-4H3,(H,15,17).
What are the key properties of ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-3-yl)acetate?
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-3-yl)acetate has a molecular weight of 287.36 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-3-yl)acetate is sourced from PubChem (CID 71479909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).