methyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-methylpropanoate

C13H21NO3 — CID 43726174

IUPACmethyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(C)c1cc(C)oc1C
InChIInChI=1S/C13H21NO3/c1-8-7-11(10(3)17-8)9(2)14-13(4,5)12(15)16-6/h7,9,14H,1-6H3
InChIKeyUOZICAGGHFPVRD-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.50
Rot. Bonds4

About methyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-methylpropanoate

methyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-methylpropanoate (PubChem CID 43726174) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is methyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-methylpropanoate
PubChem CID43726174
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Namemethyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(C)c1cc(C)oc1C
InChIInChI=1S/C13H21NO3/c1-8-7-11(10(3)17-8)9(2)14-13(4,5)12(15)16-6/h7,9,14H,1-6H3
InChIKeyUOZICAGGHFPVRD-UHFFFAOYSA-N
XLogP2.50
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanoate
CID 43725782
tert-butyl N-[1-(2,5-dimethylfuran-3-yl)ethyl]carbamate
CID 63789405
methyl 2-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropanoate
CID 43726039
methyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-2-methylpropanoate
CID 3858480
methyl 2-methyl-2-[1-(3-methylphenyl)ethylamino]propanoate
CID 43787172
methyl 2-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate
CID 43787224
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-sulfanylpropanamide
CID 107027131
2-amino-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 79811989
methyl 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butanoate
CID 54920642
methyl 2-[1-(1-benzofuran-2-yl)ethylamino]-2-methylpropanoate
CID 43725995
methyl 2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-2-methylpropanoate
CID 43725802
2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl-ethylamino]-2-methylpropanoic acid
CID 62820644

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-methylpropanoate?
The IUPAC name of methyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-methylpropanoate (CID 43726174) is methyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-methylpropanoate is COC(=O)C(C)(C)NC(C)c1cc(C)oc1C.
What is the InChIKey of methyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-methylpropanoate?
The InChIKey is UOZICAGGHFPVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-8-7-11(10(3)17-8)9(2)14-13(4,5)12(15)16-6/h7,9,14H,1-6H3.
What are the key properties of methyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-methylpropanoate?
methyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-methylpropanoate has a molecular weight of 239.31 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-methylpropanoate is sourced from PubChem (CID 43726174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).