3-cyclopropyl-3-(5-methyltetrazol-1-yl)propanoic acid

C8H12N4O2 — CID 82003607

IUPAC3-cyclopropyl-3-(5-methyltetrazol-1-yl)propanoic acid
SMILESCc1nnnn1C(CC(=O)O)C1CC1
InChIInChI=1S/C8H12N4O2/c1-5-9-10-11-12(5)7(4-8(13)14)6-2-3-6/h6-7H,2-4H2,1H3,(H,13,14)
InChIKeyBFLHLPOXVAEKGI-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.41
Rot. Bonds4

About 3-cyclopropyl-3-(5-methyltetrazol-1-yl)propanoic acid

3-cyclopropyl-3-(5-methyltetrazol-1-yl)propanoic acid (PubChem CID 82003607) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-cyclopropyl-3-(5-methyltetrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(5-methyltetrazol-1-yl)propanoic acid
PubChem CID82003607
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name3-cyclopropyl-3-(5-methyltetrazol-1-yl)propanoic acid
SMILESCc1nnnn1C(CC(=O)O)C1CC1
InChIInChI=1S/C8H12N4O2/c1-5-9-10-11-12(5)7(4-8(13)14)6-2-3-6/h6-7H,2-4H2,1H3,(H,13,14)
InChIKeyBFLHLPOXVAEKGI-UHFFFAOYSA-N
XLogP0.41
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(5-methyltetrazol-1-yl)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(5-methyltetrazol-1-yl)propanoic acid (CID 82003607) is 3-cyclopropyl-3-(5-methyltetrazol-1-yl)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(5-methyltetrazol-1-yl)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(5-methyltetrazol-1-yl)propanoic acid is Cc1nnnn1C(CC(=O)O)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-(5-methyltetrazol-1-yl)propanoic acid?
The InChIKey is BFLHLPOXVAEKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-5-9-10-11-12(5)7(4-8(13)14)6-2-3-6/h6-7H,2-4H2,1H3,(H,13,14).
What are the key properties of 3-cyclopropyl-3-(5-methyltetrazol-1-yl)propanoic acid?
3-cyclopropyl-3-(5-methyltetrazol-1-yl)propanoic acid has a molecular weight of 196.21 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(5-methyltetrazol-1-yl)propanoic acid is sourced from PubChem (CID 82003607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).