3-[1-[2-oxo-2-(pyridin-2-ylamino)ethyl]tetrazol-5-yl]propanoic acid

C11H12N6O3 — CID 84758880

IUPAC3-[1-[2-oxo-2-(pyridin-2-ylamino)ethyl]tetrazol-5-yl]propanoic acid
SMILESO=C(O)CCc1nnnn1CC(=O)Nc1ccccn1
InChIInChI=1S/C11H12N6O3/c18-10(13-8-3-1-2-6-12-8)7-17-9(14-15-16-17)4-5-11(19)20/h1-3,6H,4-5,7H2,(H,19,20)(H,12,13,18)
InChIKeyJBOFYFZROXJLQE-UHFFFAOYSA-N
MW276.26 g/mol
LogP-0.28
Rot. Bonds6

About 3-[1-[2-oxo-2-(pyridin-2-ylamino)ethyl]tetrazol-5-yl]propanoic acid

3-[1-[2-oxo-2-(pyridin-2-ylamino)ethyl]tetrazol-5-yl]propanoic acid (PubChem CID 84758880) has the molecular formula C11H12N6O3 and a molecular weight of 276.26 g/mol. Its IUPAC name is 3-[1-[2-oxo-2-(pyridin-2-ylamino)ethyl]tetrazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[2-oxo-2-(pyridin-2-ylamino)ethyl]tetrazol-5-yl]propanoic acid
PubChem CID84758880
Molecular FormulaC11H12N6O3
Molecular Weight276.26 g/mol
Exact Mass276.10
IUPAC Name3-[1-[2-oxo-2-(pyridin-2-ylamino)ethyl]tetrazol-5-yl]propanoic acid
SMILESO=C(O)CCc1nnnn1CC(=O)Nc1ccccn1
InChIInChI=1S/C11H12N6O3/c18-10(13-8-3-1-2-6-12-8)7-17-9(14-15-16-17)4-5-11(19)20/h1-3,6H,4-5,7H2,(H,19,20)(H,12,13,18)
InChIKeyJBOFYFZROXJLQE-UHFFFAOYSA-N
XLogP-0.28
TPSA122.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-methyl-1-[2-oxo-2-(pyridin-2-ylamino)ethyl]triazol-4-yl]propanoic acid
CID 82211717
3-[1-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]propanoic acid
CID 84758832
4-[5-(2-pyridin-2-ylethyl)tetrazol-1-yl]butanoic acid
CID 113269967
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
3-[1-(2-methylprop-2-enyl)tetrazol-5-yl]propanoic acid
CID 84758869
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylacetamide
CID 4904114
3-[1-(2-hydroxyethyl)tetrazol-5-yl]propanoic acid
CID 84758866
2-methylsulfanyl-N-pyridin-2-ylacetamide
CID 130725350
2-(1-phenyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide
CID 578136
molecular hydrogen;N-pyridin-2-ylbutanamide
CID 142960531
5-[[5-(2-carboxyethyl)tetrazol-1-yl]methyl]furan-2-carboxylic acid
CID 84758881
N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide
CID 687330

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-oxo-2-(pyridin-2-ylamino)ethyl]tetrazol-5-yl]propanoic acid?
The IUPAC name of 3-[1-[2-oxo-2-(pyridin-2-ylamino)ethyl]tetrazol-5-yl]propanoic acid (CID 84758880) is 3-[1-[2-oxo-2-(pyridin-2-ylamino)ethyl]tetrazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[1-[2-oxo-2-(pyridin-2-ylamino)ethyl]tetrazol-5-yl]propanoic acid?
The canonical SMILES for 3-[1-[2-oxo-2-(pyridin-2-ylamino)ethyl]tetrazol-5-yl]propanoic acid is O=C(O)CCc1nnnn1CC(=O)Nc1ccccn1.
What is the InChIKey of 3-[1-[2-oxo-2-(pyridin-2-ylamino)ethyl]tetrazol-5-yl]propanoic acid?
The InChIKey is JBOFYFZROXJLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O3/c18-10(13-8-3-1-2-6-12-8)7-17-9(14-15-16-17)4-5-11(19)20/h1-3,6H,4-5,7H2,(H,19,20)(H,12,13,18).
What are the key properties of 3-[1-[2-oxo-2-(pyridin-2-ylamino)ethyl]tetrazol-5-yl]propanoic acid?
3-[1-[2-oxo-2-(pyridin-2-ylamino)ethyl]tetrazol-5-yl]propanoic acid has a molecular weight of 276.26 g/mol, XLogP of -0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-oxo-2-(pyridin-2-ylamino)ethyl]tetrazol-5-yl]propanoic acid is sourced from PubChem (CID 84758880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).