methyl 5-[1-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]furan-2-carboxylate

C14H21NO3 — CID 79090070

IUPACmethyl 5-[1-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)N(C)CC2CC2C)o1
InChIInChI=1S/C14H21NO3/c1-9-7-11(9)8-15(3)10(2)12-5-6-13(18-12)14(16)17-4/h5-6,9-11H,7-8H2,1-4H3
InChIKeyGWNSTQDKLAVIAT-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.71
Rot. Bonds5

About methyl 5-[1-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]furan-2-carboxylate

methyl 5-[1-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]furan-2-carboxylate (PubChem CID 79090070) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 5-[1-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]furan-2-carboxylate
PubChem CID79090070
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 5-[1-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)N(C)CC2CC2C)o1
InChIInChI=1S/C14H21NO3/c1-9-7-11(9)8-15(3)10(2)12-5-6-13(18-12)14(16)17-4/h5-6,9-11H,7-8H2,1-4H3
InChIKeyGWNSTQDKLAVIAT-UHFFFAOYSA-N
XLogP2.71
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]furan-2-carboxylate (CID 79090070) is methyl 5-[1-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]furan-2-carboxylate is COC(=O)c1ccc(C(C)N(C)CC2CC2C)o1.
What is the InChIKey of methyl 5-[1-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]furan-2-carboxylate?
The InChIKey is GWNSTQDKLAVIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-9-7-11(9)8-15(3)10(2)12-5-6-13(18-12)14(16)17-4/h5-6,9-11H,7-8H2,1-4H3.
What are the key properties of methyl 5-[1-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]furan-2-carboxylate?
methyl 5-[1-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]furan-2-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]furan-2-carboxylate is sourced from PubChem (CID 79090070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).