methyl 3-(aminomethyl)-2,3-dihydrofuran-5-carboxylate

C7H11NO3 — CID 130980013

IUPACmethyl 3-(aminomethyl)-2,3-dihydrofuran-5-carboxylate
SMILESCOC(=O)C1=CC(CN)CO1
InChIInChI=1S/C7H11NO3/c1-10-7(9)6-2-5(3-8)4-11-6/h2,5H,3-4,8H2,1H3
InChIKeyBTHXYINCLBUVTJ-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.35
Rot. Bonds2

About methyl 3-(aminomethyl)-2,3-dihydrofuran-5-carboxylate

methyl 3-(aminomethyl)-2,3-dihydrofuran-5-carboxylate (PubChem CID 130980013) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is methyl 3-(aminomethyl)-2,3-dihydrofuran-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(aminomethyl)-2,3-dihydrofuran-5-carboxylate
PubChem CID130980013
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Namemethyl 3-(aminomethyl)-2,3-dihydrofuran-5-carboxylate
SMILESCOC(=O)C1=CC(CN)CO1
InChIInChI=1S/C7H11NO3/c1-10-7(9)6-2-5(3-8)4-11-6/h2,5H,3-4,8H2,1H3
InChIKeyBTHXYINCLBUVTJ-UHFFFAOYSA-N
XLogP-0.35
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(aminomethyl)-2,3-dihydrofuran-5-carboxylate?
The IUPAC name of methyl 3-(aminomethyl)-2,3-dihydrofuran-5-carboxylate (CID 130980013) is methyl 3-(aminomethyl)-2,3-dihydrofuran-5-carboxylate.
What is the SMILES notation for methyl 3-(aminomethyl)-2,3-dihydrofuran-5-carboxylate?
The canonical SMILES for methyl 3-(aminomethyl)-2,3-dihydrofuran-5-carboxylate is COC(=O)C1=CC(CN)CO1.
What is the InChIKey of methyl 3-(aminomethyl)-2,3-dihydrofuran-5-carboxylate?
The InChIKey is BTHXYINCLBUVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-10-7(9)6-2-5(3-8)4-11-6/h2,5H,3-4,8H2,1H3.
What are the key properties of methyl 3-(aminomethyl)-2,3-dihydrofuran-5-carboxylate?
methyl 3-(aminomethyl)-2,3-dihydrofuran-5-carboxylate has a molecular weight of 157.17 g/mol, XLogP of -0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(aminomethyl)-2,3-dihydrofuran-5-carboxylate is sourced from PubChem (CID 130980013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).