2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetic acid;hydrochloride

C8H14ClN5O2 — CID 75357903

IUPAC2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetic acid;hydrochloride
SMILESCl.O=C(O)Cn1nnnc1CN1CCCC1
InChIInChI=1S/C8H13N5O2.ClH/c14-8(15)6-13-7(9-10-11-13)5-12-3-1-2-4-12;/h1-6H2,(H,14,15);1H
InChIKeyFVOBQCIWGXNKAY-UHFFFAOYSA-N
MW247.69 g/mol
LogP-0.22
Rot. Bonds4

About 2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetic acid;hydrochloride

2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetic acid;hydrochloride (PubChem CID 75357903) has the molecular formula C8H14ClN5O2 and a molecular weight of 247.69 g/mol. Its IUPAC name is 2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetic acid;hydrochloride
PubChem CID75357903
Molecular FormulaC8H14ClN5O2
Molecular Weight247.69 g/mol
Exact Mass247.08
IUPAC Name2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetic acid;hydrochloride
SMILESCl.O=C(O)Cn1nnnc1CN1CCCC1
InChIInChI=1S/C8H13N5O2.ClH/c14-8(15)6-13-7(9-10-11-13)5-12-3-1-2-4-12;/h1-6H2,(H,14,15);1H
InChIKeyFVOBQCIWGXNKAY-UHFFFAOYSA-N
XLogP-0.22
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[(2,6-dimethylmorpholin-4-yl)methyl]tetrazol-1-yl]acetic acid;hydrochloride
CID 46736953
2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 42565238
ethyl 4-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]piperazine-1-carboxylate
CID 42401938
methyl 2-[[2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]acetyl]-methylamino]acetate
CID 26326057
N-(2,3-dihydro-1H-inden-2-yl)-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
CID 26412938
2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]-N-methylacetamide
CID 26400539
2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-(2-hydroxy-2-phenylethyl)-N-methylacetamide
CID 45248605
2-[5-(2-methoxyethyl)tetrazol-1-yl]acetic acid
CID 84759092
N-(1-benzylpiperidin-3-yl)-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
CID 45250145
1-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone
CID 26394254
2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[2-(3-hydroxypiperidin-1-yl)ethyl]acetamide
CID 45181738
N-[2-(2-chlorophenyl)ethyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
CID 42158113

Frequently Asked Questions

What is the IUPAC name of 2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetic acid;hydrochloride?
The IUPAC name of 2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetic acid;hydrochloride (CID 75357903) is 2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetic acid;hydrochloride?
The canonical SMILES for 2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetic acid;hydrochloride is Cl.O=C(O)Cn1nnnc1CN1CCCC1.
What is the InChIKey of 2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetic acid;hydrochloride?
The InChIKey is FVOBQCIWGXNKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2.ClH/c14-8(15)6-13-7(9-10-11-13)5-12-3-1-2-4-12;/h1-6H2,(H,14,15);1H.
What are the key properties of 2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetic acid;hydrochloride?
2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetic acid;hydrochloride has a molecular weight of 247.69 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetic acid;hydrochloride is sourced from PubChem (CID 75357903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).