2-methyl-2-[5-(thiophen-3-ylmethyl)tetrazol-1-yl]propanoic acid

C10H12N4O2S — CID 66041995

IUPAC2-methyl-2-[5-(thiophen-3-ylmethyl)tetrazol-1-yl]propanoic acid
SMILESCC(C)(C(=O)O)n1nnnc1Cc1ccsc1
InChIInChI=1S/C10H12N4O2S/c1-10(2,9(15)16)14-8(11-12-13-14)5-7-3-4-17-6-7/h3-4,6H,5H2,1-2H3,(H,15,16)
InChIKeyVBWYXNXQFRVPJC-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.15
Rot. Bonds4

About 2-methyl-2-[5-(thiophen-3-ylmethyl)tetrazol-1-yl]propanoic acid

2-methyl-2-[5-(thiophen-3-ylmethyl)tetrazol-1-yl]propanoic acid (PubChem CID 66041995) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 2-methyl-2-[5-(thiophen-3-ylmethyl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[5-(thiophen-3-ylmethyl)tetrazol-1-yl]propanoic acid
PubChem CID66041995
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name2-methyl-2-[5-(thiophen-3-ylmethyl)tetrazol-1-yl]propanoic acid
SMILESCC(C)(C(=O)O)n1nnnc1Cc1ccsc1
InChIInChI=1S/C10H12N4O2S/c1-10(2,9(15)16)14-8(11-12-13-14)5-7-3-4-17-6-7/h3-4,6H,5H2,1-2H3,(H,15,16)
InChIKeyVBWYXNXQFRVPJC-UHFFFAOYSA-N
XLogP1.15
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-2-(5-phenyltetrazol-1-yl)propanoic acid
CID 15007312
3-(thiophen-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62389874
1-methyl-2-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid
CID 63891340
4-tert-butyl-5-(thiophen-3-ylmethyl)-1,2,4-triazole-3-sulfonamide
CID 113366364
2-methyl-2-(4-methylpiperazin-1-yl)-3-thiophen-3-ylpropanoic acid
CID 84752426
2-ethyl-2-[methyl(thiophen-3-ylmethyl)amino]butanoic acid
CID 114991336
2-[[4-(2-methylpropyl)-5-(thiophen-3-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 115393118
2,2,3-trimethyl-3-(2-thiophen-3-ylethylamino)butanoic acid
CID 65264366
2,3-dimethyl-2-(thiophen-3-ylmethyl)butanoic acid
CID 83148678
2-ethyl-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]butanoic acid
CID 79804142
2-[[4-(2-methoxyethyl)-5-(thiophen-3-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 115391748
2-[5-(5-bromothiophen-2-yl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66040997

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[5-(thiophen-3-ylmethyl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[5-(thiophen-3-ylmethyl)tetrazol-1-yl]propanoic acid (CID 66041995) is 2-methyl-2-[5-(thiophen-3-ylmethyl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[5-(thiophen-3-ylmethyl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[5-(thiophen-3-ylmethyl)tetrazol-1-yl]propanoic acid is CC(C)(C(=O)O)n1nnnc1Cc1ccsc1.
What is the InChIKey of 2-methyl-2-[5-(thiophen-3-ylmethyl)tetrazol-1-yl]propanoic acid?
The InChIKey is VBWYXNXQFRVPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-10(2,9(15)16)14-8(11-12-13-14)5-7-3-4-17-6-7/h3-4,6H,5H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-2-[5-(thiophen-3-ylmethyl)tetrazol-1-yl]propanoic acid?
2-methyl-2-[5-(thiophen-3-ylmethyl)tetrazol-1-yl]propanoic acid has a molecular weight of 252.30 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[5-(thiophen-3-ylmethyl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 66041995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).