ethyl 2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetate

C13H21NO3 — CID 115257618

IUPACethyl 2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetate
SMILESCCOC(=O)CNCC(C)(C)c1ccc(C)o1
InChIInChI=1S/C13H21NO3/c1-5-16-12(15)8-14-9-13(3,4)11-7-6-10(2)17-11/h6-7,14H,5,8-9H2,1-4H3
InChIKeyBJMGDMLCQHLGAB-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.02
Rot. Bonds6

About ethyl 2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetate

ethyl 2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetate (PubChem CID 115257618) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is ethyl 2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetate
PubChem CID115257618
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Nameethyl 2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetate
SMILESCCOC(=O)CNCC(C)(C)c1ccc(C)o1
InChIInChI=1S/C13H21NO3/c1-5-16-12(15)8-14-9-13(3,4)11-7-6-10(2)17-11/h6-7,14H,5,8-9H2,1-4H3
InChIKeyBJMGDMLCQHLGAB-UHFFFAOYSA-N
XLogP2.02
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methyl-4-(5-methylfuran-2-yl)pentanoate
CID 14357301
N-ethyl-N'-[2-methyl-2-(5-methylfuran-2-yl)propyl]ethane-1,2-diamine
CID 115206193
tert-butyl 2-[[3-methyl-3-(5-methylfuran-2-yl)butyl]amino]acetate
CID 143958785
2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetonitrile
CID 115131576
ethyl 2-[[2-methyl-2-(3-methylphenyl)propyl]amino]acetate
CID 11334178
2-methyl-2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]propan-1-ol
CID 115133777
ethyl 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]acetate
CID 103096935
4-(methylamino)-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]butanamide
CID 115155862
ethyl 2-(2,2-dimethylpentylamino)acetate
CID 115257590
4-methyl-4-(5-methylfuran-2-yl)pentanoic acid
CID 14357302
ethyl 2-(2,2,3-trimethylbutylamino)acetate
CID 107095555
ethyl (2S)-3,3,3-trifluoro-2-hydroxy-2-(5-methylfuran-2-yl)propanoate
CID 2054816

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetate (CID 115257618) is ethyl 2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetate is CCOC(=O)CNCC(C)(C)c1ccc(C)o1.
What is the InChIKey of ethyl 2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetate?
The InChIKey is BJMGDMLCQHLGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-5-16-12(15)8-14-9-13(3,4)11-7-6-10(2)17-11/h6-7,14H,5,8-9H2,1-4H3.
What are the key properties of ethyl 2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetate?
ethyl 2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetate has a molecular weight of 239.31 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetate is sourced from PubChem (CID 115257618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).