methyl 5-[1-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]ethyl]furan-2-carboxylate

C15H23NO5 — CID 103245777

IUPACmethyl 5-[1-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)NC(CC(C)C)C(=O)OC)o1
InChIInChI=1S/C15H23NO5/c1-9(2)8-11(14(17)19-4)16-10(3)12-6-7-13(21-12)15(18)20-5/h6-7,9-11,16H,8H2,1-5H3
InChIKeyMHTANXSEMYRZIA-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.30
Rot. Bonds7

About methyl 5-[1-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]ethyl]furan-2-carboxylate

methyl 5-[1-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]ethyl]furan-2-carboxylate (PubChem CID 103245777) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is methyl 5-[1-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]ethyl]furan-2-carboxylate
PubChem CID103245777
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Namemethyl 5-[1-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)NC(CC(C)C)C(=O)OC)o1
InChIInChI=1S/C15H23NO5/c1-9(2)8-11(14(17)19-4)16-10(3)12-6-7-13(21-12)15(18)20-5/h6-7,9-11,16H,8H2,1-5H3
InChIKeyMHTANXSEMYRZIA-UHFFFAOYSA-N
XLogP2.30
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[1-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]ethyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 4-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate
CID 43689060
methyl 5-[1-(3-ethylpentan-3-ylamino)ethyl]furan-2-carboxylate
CID 103253848
methyl 5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]furan-2-carboxylate
CID 103260078
methyl 5-[1-[1-(furan-2-yl)ethylamino]ethyl]furan-2-carboxylate
CID 103616123
methyl 5-[1-(pent-1-yn-3-ylamino)ethyl]furan-2-carboxylate
CID 106231812
methyl 5-[1-(1-hydroxypentan-3-ylamino)ethyl]furan-2-carboxylate
CID 103267752
methyl 5-[1-[(2-amino-2-oxoethoxy)amino]ethyl]furan-2-carboxylate
CID 103263647
methyl 5-[1-[(1-hydroxy-4-methoxybutan-2-yl)amino]ethyl]furan-2-carboxylate
CID 114210879
methyl 5-(1-hydroxy-4-methylpentyl)furan-2-carboxylate
CID 106947046
methyl 5-(1-chloroethyl)furan-2-carboxylate
CID 43810601
methyl 4-methyl-2-(propan-2-ylamino)pentanoate
CID 43230583
methyl 4-methyl-2-(1-thiophen-3-ylethylamino)pentanoate
CID 62091746

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]ethyl]furan-2-carboxylate (CID 103245777) is methyl 5-[1-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]ethyl]furan-2-carboxylate is COC(=O)c1ccc(C(C)NC(CC(C)C)C(=O)OC)o1.
What is the InChIKey of methyl 5-[1-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]ethyl]furan-2-carboxylate?
The InChIKey is MHTANXSEMYRZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-9(2)8-11(14(17)19-4)16-10(3)12-6-7-13(21-12)15(18)20-5/h6-7,9-11,16H,8H2,1-5H3.
What are the key properties of methyl 5-[1-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]ethyl]furan-2-carboxylate?
methyl 5-[1-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]ethyl]furan-2-carboxylate has a molecular weight of 297.35 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]ethyl]furan-2-carboxylate is sourced from PubChem (CID 103245777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).