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

C11H13N5O5 — CID 81084981

IUPAC2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)Cn1nnc(-c2ccco2)n1)C(=O)O
InChIInChI=1S/C11H13N5O5/c1-20-6-7(11(18)19)12-9(17)5-16-14-10(13-15-16)8-3-2-4-21-8/h2-4,7H,5-6H2,1H3,(H,12,17)(H,18,19)
InChIKeyZCTKGDUHOZQWIZ-UHFFFAOYSA-N
MW295.25 g/mol
LogP-0.85
Rot. Bonds7

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

2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-3-methoxypropanoic acid (PubChem CID 81084981) has the molecular formula C11H13N5O5 and a molecular weight of 295.25 g/mol. Its IUPAC name is 2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-3-methoxypropanoic acid
PubChem CID81084981
Molecular FormulaC11H13N5O5
Molecular Weight295.25 g/mol
Exact Mass295.09
IUPAC Name2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)Cn1nnc(-c2ccco2)n1)C(=O)O
InChIInChI=1S/C11H13N5O5/c1-20-6-7(11(18)19)12-9(17)5-16-14-10(13-15-16)8-3-2-4-21-8/h2-4,7H,5-6H2,1H3,(H,12,17)(H,18,19)
InChIKeyZCTKGDUHOZQWIZ-UHFFFAOYSA-N
XLogP-0.85
TPSA132.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.25
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-3-methoxypropanoic acid with MolForge

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Related Compounds

2-[5-(furan-2-yl)tetrazol-2-yl]-N-pentan-3-ylacetamide
CID 39998075
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 103876911
4-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-2-methylbutanoic acid
CID 80537343
2-[5-(furan-2-yl)tetrazol-2-yl]-3-methoxypropanoic acid
CID 103224370
2-[[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]methyl]butanoic acid
CID 65219644
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110497
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 43845168
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771124
2-[5-(furan-2-yl)tetrazol-2-yl]-N-[(2S)-2-hydroxy-2-phenylpropyl]acetamide
CID 97319859
methyl 2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]-methylamino]acetate
CID 43431769
N-(2-cyclopropyl-2-hydroxyethyl)-2-[5-(furan-2-yl)tetrazol-2-yl]acetamide
CID 63294953
2-[5-(furan-2-yl)tetrazol-2-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 115643437

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-3-methoxypropanoic acid?
The IUPAC name of 2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-3-methoxypropanoic acid (CID 81084981) is 2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-3-methoxypropanoic acid is COCC(NC(=O)Cn1nnc(-c2ccco2)n1)C(=O)O.
What is the InChIKey of 2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-3-methoxypropanoic acid?
The InChIKey is ZCTKGDUHOZQWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O5/c1-20-6-7(11(18)19)12-9(17)5-16-14-10(13-15-16)8-3-2-4-21-8/h2-4,7H,5-6H2,1H3,(H,12,17)(H,18,19).
What are the key properties of 2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-3-methoxypropanoic acid?
2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-3-methoxypropanoic acid has a molecular weight of 295.25 g/mol, XLogP of -0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-3-methoxypropanoic acid is sourced from PubChem (CID 81084981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).