2-methyl-3-(1-methyltetrazol-5-yl)sulfanylpropanoic acid

C6H10N4O2S — CID 43538122

IUPAC2-methyl-3-(1-methyltetrazol-5-yl)sulfanylpropanoic acid
SMILESCC(CSc1nnnn1C)C(=O)O
InChIInChI=1S/C6H10N4O2S/c1-4(5(11)12)3-13-6-7-8-9-10(6)2/h4H,3H2,1-2H3,(H,11,12)
InChIKeyJXSYPZRZVDCNLG-UHFFFAOYSA-N
MW202.24 g/mol
LogP0.02
Rot. Bonds4

About 2-methyl-3-(1-methyltetrazol-5-yl)sulfanylpropanoic acid

2-methyl-3-(1-methyltetrazol-5-yl)sulfanylpropanoic acid (PubChem CID 43538122) has the molecular formula C6H10N4O2S and a molecular weight of 202.24 g/mol. Its IUPAC name is 2-methyl-3-(1-methyltetrazol-5-yl)sulfanylpropanoic acid.

Molecular Properties

Compound Name2-methyl-3-(1-methyltetrazol-5-yl)sulfanylpropanoic acid
PubChem CID43538122
Molecular FormulaC6H10N4O2S
Molecular Weight202.24 g/mol
Exact Mass202.05
IUPAC Name2-methyl-3-(1-methyltetrazol-5-yl)sulfanylpropanoic acid
SMILESCC(CSc1nnnn1C)C(=O)O
InChIInChI=1S/C6H10N4O2S/c1-4(5(11)12)3-13-6-7-8-9-10(6)2/h4H,3H2,1-2H3,(H,11,12)
InChIKeyJXSYPZRZVDCNLG-UHFFFAOYSA-N
XLogP0.02
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanoic acid
CID 43538118
methyl 2-acetamido-3-(1-methyltetrazol-5-yl)sulfanylpropanoate
CID 65441814
3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpropanoic acid
CID 61468082
5-ethylsulfanyl-1-methyltetrazole;1-phenylethanol
CID 157111853
N-ethyl-1-(1-methyltetrazol-5-yl)sulfanylpropan-2-amine
CID 64619826
1-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole
CID 1281683
4-(1-methyltetrazol-5-yl)sulfanylbutan-2-one
CID 3613438
3,3-dimethyl-1-(1-methyltetrazol-5-yl)sulfanylbutan-2-amine
CID 64620404
2-(1-methyltetrazol-5-yl)sulfanyloctanoic acid
CID 139893663
4-[1-hydroxy-2-(1-methyltetrazol-5-yl)sulfanylethyl]benzonitrile
CID 110885206
trifluoro-[(1-methyltetrazol-5-yl)sulfanylmethyl]boranuide
CID 63702874
2-[2-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]acetic acid
CID 115460822

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1-methyltetrazol-5-yl)sulfanylpropanoic acid?
The IUPAC name of 2-methyl-3-(1-methyltetrazol-5-yl)sulfanylpropanoic acid (CID 43538122) is 2-methyl-3-(1-methyltetrazol-5-yl)sulfanylpropanoic acid.
What is the SMILES notation for 2-methyl-3-(1-methyltetrazol-5-yl)sulfanylpropanoic acid?
The canonical SMILES for 2-methyl-3-(1-methyltetrazol-5-yl)sulfanylpropanoic acid is CC(CSc1nnnn1C)C(=O)O.
What is the InChIKey of 2-methyl-3-(1-methyltetrazol-5-yl)sulfanylpropanoic acid?
The InChIKey is JXSYPZRZVDCNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2S/c1-4(5(11)12)3-13-6-7-8-9-10(6)2/h4H,3H2,1-2H3,(H,11,12).
What are the key properties of 2-methyl-3-(1-methyltetrazol-5-yl)sulfanylpropanoic acid?
2-methyl-3-(1-methyltetrazol-5-yl)sulfanylpropanoic acid has a molecular weight of 202.24 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1-methyltetrazol-5-yl)sulfanylpropanoic acid is sourced from PubChem (CID 43538122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).