methyl 5-amino-2,3-dihydrofuran-4-carboxylate

C6H9NO3 — CID 12645597

IUPACmethyl 5-amino-2,3-dihydrofuran-4-carboxylate
SMILESCOC(=O)C1=C(N)OCC1
InChIInChI=1S/C6H9NO3/c1-9-6(8)4-2-3-10-5(4)7/h2-3,7H2,1H3
InChIKeyRFIDBNGORZCSPZ-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.25
Rot. Bonds1

About methyl 5-amino-2,3-dihydrofuran-4-carboxylate

methyl 5-amino-2,3-dihydrofuran-4-carboxylate (PubChem CID 12645597) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is methyl 5-amino-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2,3-dihydrofuran-4-carboxylate
PubChem CID12645597
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Namemethyl 5-amino-2,3-dihydrofuran-4-carboxylate
SMILESCOC(=O)C1=C(N)OCC1
InChIInChI=1S/C6H9NO3/c1-9-6(8)4-2-3-10-5(4)7/h2-3,7H2,1H3
InChIKeyRFIDBNGORZCSPZ-UHFFFAOYSA-N
XLogP-0.25
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of methyl 5-amino-2,3-dihydrofuran-4-carboxylate (CID 12645597) is methyl 5-amino-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for methyl 5-amino-2,3-dihydrofuran-4-carboxylate is COC(=O)C1=C(N)OCC1.
What is the InChIKey of methyl 5-amino-2,3-dihydrofuran-4-carboxylate?
The InChIKey is RFIDBNGORZCSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-9-6(8)4-2-3-10-5(4)7/h2-3,7H2,1H3.
What are the key properties of methyl 5-amino-2,3-dihydrofuran-4-carboxylate?
methyl 5-amino-2,3-dihydrofuran-4-carboxylate has a molecular weight of 143.14 g/mol, XLogP of -0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 12645597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).