methyl 2-(furan-2-yl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate

C13H19NO5 — CID 69345751

IUPACmethyl 2-(furan-2-yl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
SMILESCOC(=O)C(NCC(=O)OC(C)(C)C)c1ccco1
InChIInChI=1S/C13H19NO5/c1-13(2,3)19-10(15)8-14-11(12(16)17-4)9-6-5-7-18-9/h5-7,11,14H,8H2,1-4H3
InChIKeyKWDNXNAMZXXGHJ-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.42
Rot. Bonds5

About methyl 2-(furan-2-yl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate

methyl 2-(furan-2-yl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate (PubChem CID 69345751) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl 2-(furan-2-yl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-(furan-2-yl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
PubChem CID69345751
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Namemethyl 2-(furan-2-yl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
SMILESCOC(=O)C(NCC(=O)OC(C)(C)C)c1ccco1
InChIInChI=1S/C13H19NO5/c1-13(2,3)19-10(15)8-14-11(12(16)17-4)9-6-5-7-18-9/h5-7,11,14H,8H2,1-4H3
InChIKeyKWDNXNAMZXXGHJ-UHFFFAOYSA-N
XLogP1.42
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-(furan-2-yl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate with MolForge

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Related Compounds

tert-butyl 2-[1-(furan-2-yl)propylamino]acetate
CID 81463030
ethyl (E,4R,5S)-5-(furan-2-yl)-4-methyl-5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pent-2-enoate
CID 90122895
tert-butyl 2-(furan-2-carbonylamino)acetate
CID 78966369
tert-butyl (2R)-2-[(2-methoxy-2-oxoethyl)amino]-2-phenylacetate
CID 122135691
tert-butyl 2-[(2-methoxy-2-oxoethyl)amino]-2-thiophen-2-ylacetate
CID 19834269
tert-butyl 3,3-dichloro-2-(furan-2-yl)propanoate
CID 70473131
tert-butyl (2R,3R)-2-amino-3-(furan-2-yl)-3-hydroxypropanoate
CID 12071973
methyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-phenylmethoxypropanoate
CID 67023671
methyl 2-(furan-2-yl)-2-methoxyacetate
CID 173192079
tert-butyl 2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetate
CID 15391419
tert-butyl (2R)-2-(furan-2-ylmethylamino)propanoate
CID 103773961
methyl (3R)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
CID 54023912

Frequently Asked Questions

What is the IUPAC name of methyl 2-(furan-2-yl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate?
The IUPAC name of methyl 2-(furan-2-yl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate (CID 69345751) is methyl 2-(furan-2-yl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate.
What is the SMILES notation for methyl 2-(furan-2-yl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate?
The canonical SMILES for methyl 2-(furan-2-yl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate is COC(=O)C(NCC(=O)OC(C)(C)C)c1ccco1.
What is the InChIKey of methyl 2-(furan-2-yl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate?
The InChIKey is KWDNXNAMZXXGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-13(2,3)19-10(15)8-14-11(12(16)17-4)9-6-5-7-18-9/h5-7,11,14H,8H2,1-4H3.
What are the key properties of methyl 2-(furan-2-yl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate?
methyl 2-(furan-2-yl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate has a molecular weight of 269.30 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(furan-2-yl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate is sourced from PubChem (CID 69345751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).