3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid

C9H14N4O2S — CID 79630021

IUPAC3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid
SMILESCC(C)(CSc1nnnn1C1CC1)C(=O)O
InChIInChI=1S/C9H14N4O2S/c1-9(2,7(14)15)5-16-8-10-11-12-13(8)6-3-4-6/h6H,3-5H2,1-2H3,(H,14,15)
InChIKeyMNHPMKOTYQVWIV-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.21
Rot. Bonds5

About 3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid

3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid (PubChem CID 79630021) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is 3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid
PubChem CID79630021
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC Name3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid
SMILESCC(C)(CSc1nnnn1C1CC1)C(=O)O
InChIInChI=1S/C9H14N4O2S/c1-9(2,7(14)15)5-16-8-10-11-12-13(8)6-3-4-6/h6H,3-5H2,1-2H3,(H,14,15)
InChIKeyMNHPMKOTYQVWIV-UHFFFAOYSA-N
XLogP1.21
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-cyclopentyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid
CID 79629924
1-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,3-dimethylbutan-2-one
CID 43231239
(2S)-2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3,3-dimethylbutanoic acid
CID 61145200
3-[1-(carboxymethyl)tetrazol-5-yl]sulfanyl-2,2-dimethylpropanoic acid
CID 79630235
methyl 2-amino-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoate
CID 63918063
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-2,2-difluoroacetic acid
CID 81217649
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxy-2-methylbutan-2-yl)acetamide
CID 115884717
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methoxyacetamide
CID 30907405
2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylacetic acid
CID 43610496
2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-ethylamino]acetic acid
CID 54900172
N-cyano-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 79194698
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 62516881

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid (CID 79630021) is 3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid is CC(C)(CSc1nnnn1C1CC1)C(=O)O.
What is the InChIKey of 3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid?
The InChIKey is MNHPMKOTYQVWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c1-9(2,7(14)15)5-16-8-10-11-12-13(8)6-3-4-6/h6H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid?
3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid has a molecular weight of 242.30 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid is sourced from PubChem (CID 79630021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).