2-[5-[2-hydroxy-3-(2-methoxyethoxy)propyl]sulfanyltetrazol-1-yl]acetic acid

C9H16N4O5S — CID 106988381

IUPAC2-[5-[2-hydroxy-3-(2-methoxyethoxy)propyl]sulfanyltetrazol-1-yl]acetic acid
SMILESCOCCOCC(O)CSc1nnnn1CC(=O)O
InChIInChI=1S/C9H16N4O5S/c1-17-2-3-18-5-7(14)6-19-9-10-11-12-13(9)4-8(15)16/h7,14H,2-6H2,1H3,(H,15,16)
InChIKeyKDOOWTNZNHKHJY-UHFFFAOYSA-N
MW292.32 g/mol
LogP-1.13
Rot. Bonds10

About 2-[5-[2-hydroxy-3-(2-methoxyethoxy)propyl]sulfanyltetrazol-1-yl]acetic acid

2-[5-[2-hydroxy-3-(2-methoxyethoxy)propyl]sulfanyltetrazol-1-yl]acetic acid (PubChem CID 106988381) has the molecular formula C9H16N4O5S and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-[5-[2-hydroxy-3-(2-methoxyethoxy)propyl]sulfanyltetrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[2-hydroxy-3-(2-methoxyethoxy)propyl]sulfanyltetrazol-1-yl]acetic acid
PubChem CID106988381
Molecular FormulaC9H16N4O5S
Molecular Weight292.32 g/mol
Exact Mass292.08
IUPAC Name2-[5-[2-hydroxy-3-(2-methoxyethoxy)propyl]sulfanyltetrazol-1-yl]acetic acid
SMILESCOCCOCC(O)CSc1nnnn1CC(=O)O
InChIInChI=1S/C9H16N4O5S/c1-17-2-3-18-5-7(14)6-19-9-10-11-12-13(9)4-8(15)16/h7,14H,2-6H2,1H3,(H,15,16)
InChIKeyKDOOWTNZNHKHJY-UHFFFAOYSA-N
XLogP-1.13
TPSA119.59 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethoxy)-3-[1-[2-(propylamino)ethyl]tetrazol-5-yl]sulfanylpropan-2-ol
CID 106993060
1-butoxy-3-[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanylpropan-2-ol
CID 107264437
1-[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106993084
2-(5-methylsulfanyltetrazol-1-yl)acetic acid
CID 20670743
methyl 2-[5-(2-propoxyethylsulfanyl)tetrazol-1-yl]acetate
CID 106449589
2-[5-(2-methoxyethyl)tetrazol-1-yl]acetic acid
CID 84759092
3-[1-(carboxymethyl)tetrazol-5-yl]sulfanyl-2,2-dimethylpropanoic acid
CID 79630235
2-[5-[2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylethylsulfanyl]tetrazol-1-yl]acetic acid
CID 56983415
2-[1-(4-methoxy-2,2-dimethylbutyl)tetrazol-5-yl]sulfanylacetic acid
CID 114125789
1-(2-methoxyethoxy)-3-pyridin-4-ylsulfanylpropan-2-ol
CID 106992491
2-[2-hydroxy-3-(2-methoxyethoxy)propyl]sulfanylpyridine-3-carboxylic acid
CID 106988349
2-[5-[2-(benzhydrylamino)-2-oxoethyl]sulfanyltetrazol-1-yl]acetic acid
CID 5302586

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-hydroxy-3-(2-methoxyethoxy)propyl]sulfanyltetrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-[2-hydroxy-3-(2-methoxyethoxy)propyl]sulfanyltetrazol-1-yl]acetic acid (CID 106988381) is 2-[5-[2-hydroxy-3-(2-methoxyethoxy)propyl]sulfanyltetrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[2-hydroxy-3-(2-methoxyethoxy)propyl]sulfanyltetrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[2-hydroxy-3-(2-methoxyethoxy)propyl]sulfanyltetrazol-1-yl]acetic acid is COCCOCC(O)CSc1nnnn1CC(=O)O.
What is the InChIKey of 2-[5-[2-hydroxy-3-(2-methoxyethoxy)propyl]sulfanyltetrazol-1-yl]acetic acid?
The InChIKey is KDOOWTNZNHKHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O5S/c1-17-2-3-18-5-7(14)6-19-9-10-11-12-13(9)4-8(15)16/h7,14H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-[5-[2-hydroxy-3-(2-methoxyethoxy)propyl]sulfanyltetrazol-1-yl]acetic acid?
2-[5-[2-hydroxy-3-(2-methoxyethoxy)propyl]sulfanyltetrazol-1-yl]acetic acid has a molecular weight of 292.32 g/mol, XLogP of -1.13, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-hydroxy-3-(2-methoxyethoxy)propyl]sulfanyltetrazol-1-yl]acetic acid is sourced from PubChem (CID 106988381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).