3-(2-methyltetrazol-5-yl)propanoic acid

C5H8N4O2 — CID 22069179

IUPAC3-(2-methyltetrazol-5-yl)propanoic acid
SMILESCn1nnc(CCC(=O)O)n1
InChIInChI=1S/C5H8N4O2/c1-9-7-4(6-8-9)2-3-5(10)11/h2-3H2,1H3,(H,10,11)
InChIKeyANZQGOAYDJBXII-UHFFFAOYSA-N
MW156.15 g/mol
LogP-0.77
Rot. Bonds3

About 3-(2-methyltetrazol-5-yl)propanoic acid

3-(2-methyltetrazol-5-yl)propanoic acid (PubChem CID 22069179) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is 3-(2-methyltetrazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-methyltetrazol-5-yl)propanoic acid
PubChem CID22069179
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name3-(2-methyltetrazol-5-yl)propanoic acid
SMILESCn1nnc(CCC(=O)O)n1
InChIInChI=1S/C5H8N4O2/c1-9-7-4(6-8-9)2-3-5(10)11/h2-3H2,1H3,(H,10,11)
InChIKeyANZQGOAYDJBXII-UHFFFAOYSA-N
XLogP-0.77
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methyltetrazol-5-yl)methylsulfanyl]acetic acid
CID 107040999
2,2-dimethyl-3-(2-methyltetrazol-5-yl)propanoic acid
CID 107045107
3-[2-(2,6-dimethylphenyl)tetrazol-5-yl]propanoic acid
CID 82295200
2-[(2-methyltetrazol-5-yl)methylsulfinyl]propanoic acid
CID 107051987
3-[2-(2,4-dimethylphenyl)tetrazol-5-yl]propanoic acid
CID 82295196
2-[1-[(2-methyltetrazol-5-yl)methyl]triazol-4-yl]acetic acid
CID 107461559
2-(aminomethyl)-3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid
CID 107067051
3-[2-(2-bromo-4-methylphenyl)tetrazol-5-yl]propanoic acid
CID 82308879
N-methyl-3-[(2-methyltetrazol-5-yl)methylamino]propanamide
CID 107042317
6-amino-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107062048
tert-butyl N-[(2-methyltetrazol-5-yl)methyl]carbamate
CID 45092164
4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107046864

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyltetrazol-5-yl)propanoic acid?
The IUPAC name of 3-(2-methyltetrazol-5-yl)propanoic acid (CID 22069179) is 3-(2-methyltetrazol-5-yl)propanoic acid.
What is the SMILES notation for 3-(2-methyltetrazol-5-yl)propanoic acid?
The canonical SMILES for 3-(2-methyltetrazol-5-yl)propanoic acid is Cn1nnc(CCC(=O)O)n1.
What is the InChIKey of 3-(2-methyltetrazol-5-yl)propanoic acid?
The InChIKey is ANZQGOAYDJBXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-9-7-4(6-8-9)2-3-5(10)11/h2-3H2,1H3,(H,10,11).
What are the key properties of 3-(2-methyltetrazol-5-yl)propanoic acid?
3-(2-methyltetrazol-5-yl)propanoic acid has a molecular weight of 156.15 g/mol, XLogP of -0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyltetrazol-5-yl)propanoic acid is sourced from PubChem (CID 22069179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).