2-(2,3-dihydrofuran-2-carbonylamino)acetic acid

C7H9NO4 — CID 89219246

IUPAC2-(2,3-dihydrofuran-2-carbonylamino)acetic acid
SMILESO=C(O)CNC(=O)C1CC=CO1
InChIInChI=1S/C7H9NO4/c9-6(10)4-8-7(11)5-2-1-3-12-5/h1,3,5H,2,4H2,(H,8,11)(H,9,10)
InChIKeyPFZSGWZRHQMNDW-UHFFFAOYSA-N
MW171.15 g/mol
LogP-0.51
Rot. Bonds3

About 2-(2,3-dihydrofuran-2-carbonylamino)acetic acid

2-(2,3-dihydrofuran-2-carbonylamino)acetic acid (PubChem CID 89219246) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is 2-(2,3-dihydrofuran-2-carbonylamino)acetic acid.

Molecular Properties

Compound Name2-(2,3-dihydrofuran-2-carbonylamino)acetic acid
PubChem CID89219246
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Name2-(2,3-dihydrofuran-2-carbonylamino)acetic acid
SMILESO=C(O)CNC(=O)C1CC=CO1
InChIInChI=1S/C7H9NO4/c9-6(10)4-8-7(11)5-2-1-3-12-5/h1,3,5H,2,4H2,(H,8,11)(H,9,10)
InChIKeyPFZSGWZRHQMNDW-UHFFFAOYSA-N
XLogP-0.51
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydrofuran-2-carbonylamino)acetic acid?
The IUPAC name of 2-(2,3-dihydrofuran-2-carbonylamino)acetic acid (CID 89219246) is 2-(2,3-dihydrofuran-2-carbonylamino)acetic acid.
What is the SMILES notation for 2-(2,3-dihydrofuran-2-carbonylamino)acetic acid?
The canonical SMILES for 2-(2,3-dihydrofuran-2-carbonylamino)acetic acid is O=C(O)CNC(=O)C1CC=CO1.
What is the InChIKey of 2-(2,3-dihydrofuran-2-carbonylamino)acetic acid?
The InChIKey is PFZSGWZRHQMNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4/c9-6(10)4-8-7(11)5-2-1-3-12-5/h1,3,5H,2,4H2,(H,8,11)(H,9,10).
What are the key properties of 2-(2,3-dihydrofuran-2-carbonylamino)acetic acid?
2-(2,3-dihydrofuran-2-carbonylamino)acetic acid has a molecular weight of 171.15 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydrofuran-2-carbonylamino)acetic acid is sourced from PubChem (CID 89219246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).