2-[5-(furan-2-yl)tetrazol-2-yl]-3-methoxypropanoic acid

C9H10N4O4 — CID 103224370

IUPAC2-[5-(furan-2-yl)tetrazol-2-yl]-3-methoxypropanoic acid
SMILESCOCC(C(=O)O)n1nnc(-c2ccco2)n1
InChIInChI=1S/C9H10N4O4/c1-16-5-6(9(14)15)13-11-8(10-12-13)7-3-2-4-17-7/h2-4,6H,5H2,1H3,(H,14,15)
InChIKeyYNJWVHFIWHSOQV-UHFFFAOYSA-N
MW238.20 g/mol
LogP0.21
Rot. Bonds5

About 2-[5-(furan-2-yl)tetrazol-2-yl]-3-methoxypropanoic acid

2-[5-(furan-2-yl)tetrazol-2-yl]-3-methoxypropanoic acid (PubChem CID 103224370) has the molecular formula C9H10N4O4 and a molecular weight of 238.20 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)tetrazol-2-yl]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[5-(furan-2-yl)tetrazol-2-yl]-3-methoxypropanoic acid
PubChem CID103224370
Molecular FormulaC9H10N4O4
Molecular Weight238.20 g/mol
Exact Mass238.07
IUPAC Name2-[5-(furan-2-yl)tetrazol-2-yl]-3-methoxypropanoic acid
SMILESCOCC(C(=O)O)n1nnc(-c2ccco2)n1
InChIInChI=1S/C9H10N4O4/c1-16-5-6(9(14)15)13-11-8(10-12-13)7-3-2-4-17-7/h2-4,6H,5H2,1H3,(H,14,15)
InChIKeyYNJWVHFIWHSOQV-UHFFFAOYSA-N
XLogP0.21
TPSA103.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-(furan-2-yl)tetrazol-2-yl]-3-methoxypropanoic 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

2-fluoro-2-[5-(furan-2-yl)tetrazol-2-yl]acetic acid
CID 81298403
2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-3-methoxypropanoic acid
CID 81084981
methyl 3-[5-(furan-2-yl)tetrazol-2-yl]butanoate
CID 54915091
2-[5-(furan-2-yl)tetrazol-2-yl]-1-phenylpropan-1-one
CID 62024913
2-[5-(furan-2-yl)tetrazol-2-yl]pentanehydrazide
CID 83048207
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 103876911
1-(5-chlorothiophen-2-yl)-2-[5-(furan-2-yl)tetrazol-2-yl]propan-1-one
CID 62025284
N-[2-[5-(furan-2-yl)tetrazol-2-yl]propyl]pentan-3-amine
CID 62567377
4-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-2-methylbutanoic acid
CID 80537343
2-[[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]methyl]butanoic acid
CID 65219644
(2R)-1-[5-(furan-2-yl)tetrazol-2-yl]-3-propan-2-yloxypropan-2-ol
CID 124614806
2-[5-(furan-2-yl)tetrazol-2-yl]-N-pentan-3-ylacetamide
CID 39998075

Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)tetrazol-2-yl]-3-methoxypropanoic acid?
The IUPAC name of 2-[5-(furan-2-yl)tetrazol-2-yl]-3-methoxypropanoic acid (CID 103224370) is 2-[5-(furan-2-yl)tetrazol-2-yl]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[5-(furan-2-yl)tetrazol-2-yl]-3-methoxypropanoic acid?
The canonical SMILES for 2-[5-(furan-2-yl)tetrazol-2-yl]-3-methoxypropanoic acid is COCC(C(=O)O)n1nnc(-c2ccco2)n1.
What is the InChIKey of 2-[5-(furan-2-yl)tetrazol-2-yl]-3-methoxypropanoic acid?
The InChIKey is YNJWVHFIWHSOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O4/c1-16-5-6(9(14)15)13-11-8(10-12-13)7-3-2-4-17-7/h2-4,6H,5H2,1H3,(H,14,15).
What are the key properties of 2-[5-(furan-2-yl)tetrazol-2-yl]-3-methoxypropanoic acid?
2-[5-(furan-2-yl)tetrazol-2-yl]-3-methoxypropanoic acid has a molecular weight of 238.20 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)tetrazol-2-yl]-3-methoxypropanoic acid is sourced from PubChem (CID 103224370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).