methyl 2-(2,3-dihydrofuran-5-carbonylamino)acetate

C8H11NO4 — CID 170040965

IUPACmethyl 2-(2,3-dihydrofuran-5-carbonylamino)acetate
SMILESCOC(=O)CNC(=O)C1=CCCO1
InChIInChI=1S/C8H11NO4/c1-12-7(10)5-9-8(11)6-3-2-4-13-6/h3H,2,4-5H2,1H3,(H,9,11)
InChIKeyDUFRXTZQNMLPGW-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.42
Rot. Bonds3

About methyl 2-(2,3-dihydrofuran-5-carbonylamino)acetate

methyl 2-(2,3-dihydrofuran-5-carbonylamino)acetate (PubChem CID 170040965) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is methyl 2-(2,3-dihydrofuran-5-carbonylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(2,3-dihydrofuran-5-carbonylamino)acetate
PubChem CID170040965
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Namemethyl 2-(2,3-dihydrofuran-5-carbonylamino)acetate
SMILESCOC(=O)CNC(=O)C1=CCCO1
InChIInChI=1S/C8H11NO4/c1-12-7(10)5-9-8(11)6-3-2-4-13-6/h3H,2,4-5H2,1H3,(H,9,11)
InChIKeyDUFRXTZQNMLPGW-UHFFFAOYSA-N
XLogP-0.42
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-dihydrofuran-5-carbonylamino)acetate?
The IUPAC name of methyl 2-(2,3-dihydrofuran-5-carbonylamino)acetate (CID 170040965) is methyl 2-(2,3-dihydrofuran-5-carbonylamino)acetate.
What is the SMILES notation for methyl 2-(2,3-dihydrofuran-5-carbonylamino)acetate?
The canonical SMILES for methyl 2-(2,3-dihydrofuran-5-carbonylamino)acetate is COC(=O)CNC(=O)C1=CCCO1.
What is the InChIKey of methyl 2-(2,3-dihydrofuran-5-carbonylamino)acetate?
The InChIKey is DUFRXTZQNMLPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-12-7(10)5-9-8(11)6-3-2-4-13-6/h3H,2,4-5H2,1H3,(H,9,11).
What are the key properties of methyl 2-(2,3-dihydrofuran-5-carbonylamino)acetate?
methyl 2-(2,3-dihydrofuran-5-carbonylamino)acetate has a molecular weight of 185.18 g/mol, XLogP of -0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3-dihydrofuran-5-carbonylamino)acetate is sourced from PubChem (CID 170040965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).