2-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid

C10H17N5O3 — CID 107044942

IUPAC2-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid
SMILESCn1nnc(CN2CCC(OCC(=O)O)CC2)n1
InChIInChI=1S/C10H17N5O3/c1-14-12-9(11-13-14)6-15-4-2-8(3-5-15)18-7-10(16)17/h8H,2-7H2,1H3,(H,16,17)
InChIKeyWBUFUXWUFXFIEE-UHFFFAOYSA-N
MW255.28 g/mol
LogP-0.72
Rot. Bonds5

About 2-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid

2-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid (PubChem CID 107044942) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid
PubChem CID107044942
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name2-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid
SMILESCn1nnc(CN2CCC(OCC(=O)O)CC2)n1
InChIInChI=1S/C10H17N5O3/c1-14-12-9(11-13-14)6-15-4-2-8(3-5-15)18-7-10(16)17/h8H,2-7H2,1H3,(H,16,17)
InChIKeyWBUFUXWUFXFIEE-UHFFFAOYSA-N
XLogP-0.72
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]acetic acid
CID 107044977
2-[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]azetidin-3-yl]oxyacetic acid
CID 107045066
2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxyacetic acid
CID 63904154
1-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-yl]ethanol
CID 107052605
2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid
CID 63903585
2-(1-heptylpiperidin-4-yl)oxyacetic acid
CID 63905083
2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]oxyacetic acid
CID 63904708
4-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine-4-carboxylic acid
CID 107044922
2-[1-[(5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]oxyacetic acid
CID 107530362
2-[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-4-yl]oxyacetic acid
CID 114557952
2-[1-(4-methylpentyl)piperidin-4-yl]oxyacetic acid
CID 83158487
2-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]oxyacetic acid
CID 65065662

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid (CID 107044942) is 2-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid is Cn1nnc(CN2CCC(OCC(=O)O)CC2)n1.
What is the InChIKey of 2-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is WBUFUXWUFXFIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-14-12-9(11-13-14)6-15-4-2-8(3-5-15)18-7-10(16)17/h8H,2-7H2,1H3,(H,16,17).
What are the key properties of 2-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid?
2-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 255.28 g/mol, XLogP of -0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 107044942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).