methyl 4-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate

C14H23NO3 — CID 43689060

IUPACmethyl 4-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(C)c1ccc(C)o1
InChIInChI=1S/C14H23NO3/c1-9(2)8-12(14(16)17-5)15-11(4)13-7-6-10(3)18-13/h6-7,9,11-12,15H,8H2,1-5H3
InChIKeyXYENUOAWPMMPFG-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.83
Rot. Bonds6

About methyl 4-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate

methyl 4-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate (PubChem CID 43689060) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is methyl 4-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate
PubChem CID43689060
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Namemethyl 4-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(C)c1ccc(C)o1
InChIInChI=1S/C14H23NO3/c1-9(2)8-12(14(16)17-5)15-11(4)13-7-6-10(3)18-13/h6-7,9,11-12,15H,8H2,1-5H3
InChIKeyXYENUOAWPMMPFG-UHFFFAOYSA-N
XLogP2.83
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[1-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]ethyl]furan-2-carboxylate
CID 103245777
N,N,4-trimethyl-2-[1-(5-methylfuran-2-yl)ethylamino]pentanamide
CID 43675082
ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate
CID 83038809
methyl 2-[1-(2,4-dimethylphenyl)ethylamino]-4-methylpentanoate
CID 43689048
methyl 4-methyl-2-(propan-2-ylamino)pentanoate
CID 43230583
methyl 4-methyl-2-(1-thiophen-3-ylethylamino)pentanoate
CID 62091746
methyl 2-[1-(4-cyanophenyl)ethylamino]-4-methylpentanoate
CID 43689035
N'-hydroxy-2-[1-(5-methylfuran-2-yl)ethylamino]butanimidamide
CID 77031505
2-[1-(5-bromofuran-2-yl)ethylamino]-N,4-dimethylpentanamide
CID 104652711
ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]-2-phenylacetate
CID 103602127
methyl 2-[1-(3-methoxyphenyl)ethylamino]-4-methylpentanoate
CID 43689061
methyl 2-[1-(2,5-dichlorophenyl)ethylamino]-4-methylpentanoate
CID 43688973

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate (CID 43689060) is methyl 4-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate is COC(=O)C(CC(C)C)NC(C)c1ccc(C)o1.
What is the InChIKey of methyl 4-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate?
The InChIKey is XYENUOAWPMMPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-9(2)8-12(14(16)17-5)15-11(4)13-7-6-10(3)18-13/h6-7,9,11-12,15H,8H2,1-5H3.
What are the key properties of methyl 4-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate?
methyl 4-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate has a molecular weight of 253.34 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate is sourced from PubChem (CID 43689060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).