methyl 5-[1-[(1-methoxycyclobutyl)methylamino]ethyl]furan-2-carboxylate

C14H21NO4 — CID 114120002

IUPACmethyl 5-[1-[(1-methoxycyclobutyl)methylamino]ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)NCC2(OC)CCC2)o1
InChIInChI=1S/C14H21NO4/c1-10(15-9-14(18-3)7-4-8-14)11-5-6-12(19-11)13(16)17-2/h5-6,10,15H,4,7-9H2,1-3H3
InChIKeyXNVFXRKLCDUTIH-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.29
Rot. Bonds6

About methyl 5-[1-[(1-methoxycyclobutyl)methylamino]ethyl]furan-2-carboxylate

methyl 5-[1-[(1-methoxycyclobutyl)methylamino]ethyl]furan-2-carboxylate (PubChem CID 114120002) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is methyl 5-[1-[(1-methoxycyclobutyl)methylamino]ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-[(1-methoxycyclobutyl)methylamino]ethyl]furan-2-carboxylate
PubChem CID114120002
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Namemethyl 5-[1-[(1-methoxycyclobutyl)methylamino]ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)NCC2(OC)CCC2)o1
InChIInChI=1S/C14H21NO4/c1-10(15-9-14(18-3)7-4-8-14)11-5-6-12(19-11)13(16)17-2/h5-6,10,15H,4,7-9H2,1-3H3
InChIKeyXNVFXRKLCDUTIH-UHFFFAOYSA-N
XLogP2.29
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-[(1-methoxycyclobutyl)methylamino]ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-[(1-methoxycyclobutyl)methylamino]ethyl]furan-2-carboxylate (CID 114120002) is methyl 5-[1-[(1-methoxycyclobutyl)methylamino]ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-[(1-methoxycyclobutyl)methylamino]ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-[(1-methoxycyclobutyl)methylamino]ethyl]furan-2-carboxylate is COC(=O)c1ccc(C(C)NCC2(OC)CCC2)o1.
What is the InChIKey of methyl 5-[1-[(1-methoxycyclobutyl)methylamino]ethyl]furan-2-carboxylate?
The InChIKey is XNVFXRKLCDUTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-10(15-9-14(18-3)7-4-8-14)11-5-6-12(19-11)13(16)17-2/h5-6,10,15H,4,7-9H2,1-3H3.
What are the key properties of methyl 5-[1-[(1-methoxycyclobutyl)methylamino]ethyl]furan-2-carboxylate?
methyl 5-[1-[(1-methoxycyclobutyl)methylamino]ethyl]furan-2-carboxylate has a molecular weight of 267.32 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-[(1-methoxycyclobutyl)methylamino]ethyl]furan-2-carboxylate is sourced from PubChem (CID 114120002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).