2-[1-(furan-2-yl)ethylideneamino]acetic acid

C8H9NO3 — CID 10813658

IUPAC2-[1-(furan-2-yl)ethylideneamino]acetic acid
SMILESC/C(=N\CC(=O)O)c1ccco1
InChIInChI=1S/C8H9NO3/c1-6(9-5-8(10)11)7-3-2-4-12-7/h2-4H,5H2,1H3,(H,10,11)/b9-6+
InChIKeyXVRURXQIPZYUHX-RMKNXTFCSA-N
MW167.16 g/mol
LogP1.17
Rot. Bonds3

About 2-[1-(furan-2-yl)ethylideneamino]acetic acid

2-[1-(furan-2-yl)ethylideneamino]acetic acid (PubChem CID 10813658) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 2-[1-(furan-2-yl)ethylideneamino]acetic acid.

Molecular Properties

Compound Name2-[1-(furan-2-yl)ethylideneamino]acetic acid
PubChem CID10813658
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name2-[1-(furan-2-yl)ethylideneamino]acetic acid
SMILESC/C(=N\CC(=O)O)c1ccco1
InChIInChI=1S/C8H9NO3/c1-6(9-5-8(10)11)7-3-2-4-12-7/h2-4H,5H2,1H3,(H,10,11)/b9-6+
InChIKeyXVRURXQIPZYUHX-RMKNXTFCSA-N
XLogP1.17
TPSA62.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[1-(furan-2-yl)ethylideneamino]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

Related Compounds

N-[(E)-1-(furan-2-yl)ethylideneamino]-2-phenylacetamide
CID 5335640
N-[(E)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845
furan-2-carboxylic acid;methanol
CID 70611195
N-[(Z)-1-(furan-2-yl)ethylideneamino]-3-phenylpropanamide
CID 6339329
(3Z)-3-(furan-2-yl)-3-hydroxyiminopropanoic acid
CID 55250666
trimethylsilyl 2-[[furan-2-yl(trimethylsilyloxy)methylidene]amino]acetate
CID 528661
N-[(E)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5396908
[(Z)-1-(furan-2-yl)ethylideneamino]urea
CID 5354823
furan-2-carboxylic acid;methanamine
CID 82372767
furan-2-carboxylic acid;silver
CID 87285311
furan-2-carboxylic acid;gold
CID 174701575
zinc furan-2-carboxylic acid
CID 25022579

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-yl)ethylideneamino]acetic acid?
The IUPAC name of 2-[1-(furan-2-yl)ethylideneamino]acetic acid (CID 10813658) is 2-[1-(furan-2-yl)ethylideneamino]acetic acid.
What is the SMILES notation for 2-[1-(furan-2-yl)ethylideneamino]acetic acid?
The canonical SMILES for 2-[1-(furan-2-yl)ethylideneamino]acetic acid is C/C(=N\CC(=O)O)c1ccco1.
What is the InChIKey of 2-[1-(furan-2-yl)ethylideneamino]acetic acid?
The InChIKey is XVRURXQIPZYUHX-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H9NO3/c1-6(9-5-8(10)11)7-3-2-4-12-7/h2-4H,5H2,1H3,(H,10,11)/b9-6+.
What are the key properties of 2-[1-(furan-2-yl)ethylideneamino]acetic acid?
2-[1-(furan-2-yl)ethylideneamino]acetic acid has a molecular weight of 167.16 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-yl)ethylideneamino]acetic acid is sourced from PubChem (CID 10813658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).