2-(furan-2-carbonylamino)acetic acid

C7H7NO4 — CID 21863

IUPAC2-(furan-2-carbonylamino)acetic acid
SMILESO=C(O)CNC(=O)c1ccco1
InChIInChI=1S/C7H7NO4/c9-6(10)4-8-7(11)5-2-1-3-12-5/h1-3H,4H2,(H,8,11)(H,9,10)
InChIKeyKSPQDMRTZZYQLM-UHFFFAOYSA-N
MW169.14 g/mol
LogP0.09
Rot. Bonds3

About 2-(furan-2-carbonylamino)acetic acid

2-(furan-2-carbonylamino)acetic acid (PubChem CID 21863) has the molecular formula C7H7NO4 and a molecular weight of 169.14 g/mol. Its IUPAC name is 2-(furan-2-carbonylamino)acetic acid.

Molecular Properties

Compound Name2-(furan-2-carbonylamino)acetic acid
PubChem CID21863
Molecular FormulaC7H7NO4
Molecular Weight169.14 g/mol
Exact Mass169.04
IUPAC Name2-(furan-2-carbonylamino)acetic acid
SMILESO=C(O)CNC(=O)c1ccco1
InChIInChI=1S/C7H7NO4/c9-6(10)4-8-7(11)5-2-1-3-12-5/h1-3H,4H2,(H,8,11)(H,9,10)
InChIKeyKSPQDMRTZZYQLM-UHFFFAOYSA-N
XLogP0.09
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(furan-2-carbonylamino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-carbonylamino)acetic acid?
The IUPAC name of 2-(furan-2-carbonylamino)acetic acid (CID 21863) is 2-(furan-2-carbonylamino)acetic acid.
What is the SMILES notation for 2-(furan-2-carbonylamino)acetic acid?
The canonical SMILES for 2-(furan-2-carbonylamino)acetic acid is O=C(O)CNC(=O)c1ccco1.
What is the InChIKey of 2-(furan-2-carbonylamino)acetic acid?
The InChIKey is KSPQDMRTZZYQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4/c9-6(10)4-8-7(11)5-2-1-3-12-5/h1-3H,4H2,(H,8,11)(H,9,10).
What are the key properties of 2-(furan-2-carbonylamino)acetic acid?
2-(furan-2-carbonylamino)acetic acid has a molecular weight of 169.14 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-carbonylamino)acetic acid is sourced from PubChem (CID 21863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).