2-(2-benzyltetrazol-5-yl)-2-cyclopentylacetic acid

C15H18N4O2 — CID 67232299

IUPAC2-(2-benzyltetrazol-5-yl)-2-cyclopentylacetic acid
SMILESO=C(O)C(c1nnn(Cc2ccccc2)n1)C1CCCC1
InChIInChI=1S/C15H18N4O2/c20-15(21)13(12-8-4-5-9-12)14-16-18-19(17-14)10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2,(H,20,21)
InChIKeyKYKWQMCDDCPGRS-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.08
Rot. Bonds5

About 2-(2-benzyltetrazol-5-yl)-2-cyclopentylacetic acid

2-(2-benzyltetrazol-5-yl)-2-cyclopentylacetic acid (PubChem CID 67232299) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(2-benzyltetrazol-5-yl)-2-cyclopentylacetic acid.

Molecular Properties

Compound Name2-(2-benzyltetrazol-5-yl)-2-cyclopentylacetic acid
PubChem CID67232299
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name2-(2-benzyltetrazol-5-yl)-2-cyclopentylacetic acid
SMILESO=C(O)C(c1nnn(Cc2ccccc2)n1)C1CCCC1
InChIInChI=1S/C15H18N4O2/c20-15(21)13(12-8-4-5-9-12)14-16-18-19(17-14)10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2,(H,20,21)
InChIKeyKYKWQMCDDCPGRS-UHFFFAOYSA-N
XLogP2.08
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R,2R)-1,2-bis(2-benzyltetrazol-5-yl)ethane-1,2-diol
CID 11268940
2-amino-1-(2-benzyltetrazol-5-yl)ethanol
CID 84786669
2-cyclopentyl-2-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]acetic acid
CID 58136304
2-(1-benzylpiperidin-3-yl)-2-fluoroacetic acid
CID 81358703
4-(2-benzyltetrazol-5-yl)-4-phenylpiperidine-1-carboxylic acid
CID 22240699
(3S)-4-[(2S)-2-(2-benzyltetrazol-5-yl)pyrrolidin-1-yl]-3-cyclohexyl-2-ethyl-2-(methylamino)-4-oxobutanamide
CID 140535374
2-(1-benzylpiperidin-4-yl)-2-fluoroacetic acid
CID 81357739
(1-benzylpyrrolidin-3-yl) 2-cyclopentyl-2-phenylacetate
CID 117065975
2-cyclohexyl-2-(2-hydroxyphenyl)acetic acid
CID 22178850
N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-phenylacetamide
CID 68902944
5-amino-2-benzyltriazole-4-carboxylic acid
CID 84724246
2-cyclopentyl-2-phenylacetic acid;2-(2-hydroxyethoxy)ethanol
CID 175204467

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyltetrazol-5-yl)-2-cyclopentylacetic acid?
The IUPAC name of 2-(2-benzyltetrazol-5-yl)-2-cyclopentylacetic acid (CID 67232299) is 2-(2-benzyltetrazol-5-yl)-2-cyclopentylacetic acid.
What is the SMILES notation for 2-(2-benzyltetrazol-5-yl)-2-cyclopentylacetic acid?
The canonical SMILES for 2-(2-benzyltetrazol-5-yl)-2-cyclopentylacetic acid is O=C(O)C(c1nnn(Cc2ccccc2)n1)C1CCCC1.
What is the InChIKey of 2-(2-benzyltetrazol-5-yl)-2-cyclopentylacetic acid?
The InChIKey is KYKWQMCDDCPGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-15(21)13(12-8-4-5-9-12)14-16-18-19(17-14)10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2,(H,20,21).
What are the key properties of 2-(2-benzyltetrazol-5-yl)-2-cyclopentylacetic acid?
2-(2-benzyltetrazol-5-yl)-2-cyclopentylacetic acid has a molecular weight of 286.33 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyltetrazol-5-yl)-2-cyclopentylacetic acid is sourced from PubChem (CID 67232299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).