2-methyl-4-[5-(1-phenylcyclopropyl)tetrazol-1-yl]butanoic acid

C15H18N4O2 — CID 80541633

IUPAC2-methyl-4-[5-(1-phenylcyclopropyl)tetrazol-1-yl]butanoic acid
SMILESCC(CCn1nnnc1C1(c2ccccc2)CC1)C(=O)O
InChIInChI=1S/C15H18N4O2/c1-11(13(20)21)7-10-19-14(16-17-18-19)15(8-9-15)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,20,21)
InChIKeyWIKAMUVSCBMJKF-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.86
Rot. Bonds6

About 2-methyl-4-[5-(1-phenylcyclopropyl)tetrazol-1-yl]butanoic acid

2-methyl-4-[5-(1-phenylcyclopropyl)tetrazol-1-yl]butanoic acid (PubChem CID 80541633) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-methyl-4-[5-(1-phenylcyclopropyl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name2-methyl-4-[5-(1-phenylcyclopropyl)tetrazol-1-yl]butanoic acid
PubChem CID80541633
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name2-methyl-4-[5-(1-phenylcyclopropyl)tetrazol-1-yl]butanoic acid
SMILESCC(CCn1nnnc1C1(c2ccccc2)CC1)C(=O)O
InChIInChI=1S/C15H18N4O2/c1-11(13(20)21)7-10-19-14(16-17-18-19)15(8-9-15)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,20,21)
InChIKeyWIKAMUVSCBMJKF-UHFFFAOYSA-N
XLogP1.86
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[5-(1-phenylcyclopropyl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 2-methyl-4-[5-(1-phenylcyclopropyl)tetrazol-1-yl]butanoic acid (CID 80541633) is 2-methyl-4-[5-(1-phenylcyclopropyl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 2-methyl-4-[5-(1-phenylcyclopropyl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 2-methyl-4-[5-(1-phenylcyclopropyl)tetrazol-1-yl]butanoic acid is CC(CCn1nnnc1C1(c2ccccc2)CC1)C(=O)O.
What is the InChIKey of 2-methyl-4-[5-(1-phenylcyclopropyl)tetrazol-1-yl]butanoic acid?
The InChIKey is WIKAMUVSCBMJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11(13(20)21)7-10-19-14(16-17-18-19)15(8-9-15)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,20,21).
What are the key properties of 2-methyl-4-[5-(1-phenylcyclopropyl)tetrazol-1-yl]butanoic acid?
2-methyl-4-[5-(1-phenylcyclopropyl)tetrazol-1-yl]butanoic acid has a molecular weight of 286.34 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[5-(1-phenylcyclopropyl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 80541633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).