2-[5-(cyclopropylmethyl)tetrazol-1-yl]propanoic acid

C8H12N4O2 — CID 66041782

IUPAC2-[5-(cyclopropylmethyl)tetrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1nnnc1CC1CC1
InChIInChI=1S/C8H12N4O2/c1-5(8(13)14)12-7(9-10-11-12)4-6-2-3-6/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyXWCNBUYARTYCDZ-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.27
Rot. Bonds4

About 2-[5-(cyclopropylmethyl)tetrazol-1-yl]propanoic acid

2-[5-(cyclopropylmethyl)tetrazol-1-yl]propanoic acid (PubChem CID 66041782) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-[5-(cyclopropylmethyl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-(cyclopropylmethyl)tetrazol-1-yl]propanoic acid
PubChem CID66041782
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name2-[5-(cyclopropylmethyl)tetrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1nnnc1CC1CC1
InChIInChI=1S/C8H12N4O2/c1-5(8(13)14)12-7(9-10-11-12)4-6-2-3-6/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyXWCNBUYARTYCDZ-UHFFFAOYSA-N
XLogP0.27
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 ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyclopropylmethyl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 2-[5-(cyclopropylmethyl)tetrazol-1-yl]propanoic acid (CID 66041782) is 2-[5-(cyclopropylmethyl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[5-(cyclopropylmethyl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[5-(cyclopropylmethyl)tetrazol-1-yl]propanoic acid is CC(C(=O)O)n1nnnc1CC1CC1.
What is the InChIKey of 2-[5-(cyclopropylmethyl)tetrazol-1-yl]propanoic acid?
The InChIKey is XWCNBUYARTYCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-5(8(13)14)12-7(9-10-11-12)4-6-2-3-6/h5-6H,2-4H2,1H3,(H,13,14).
What are the key properties of 2-[5-(cyclopropylmethyl)tetrazol-1-yl]propanoic acid?
2-[5-(cyclopropylmethyl)tetrazol-1-yl]propanoic acid has a molecular weight of 196.21 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(cyclopropylmethyl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 66041782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).