2-[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]azetidin-3-yl]oxyacetic acid

C9H15N5O3 — CID 107045066

IUPAC2-[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]azetidin-3-yl]oxyacetic acid
SMILESCn1nnc(CN2CC(C)(OCC(=O)O)C2)n1
InChIInChI=1S/C9H15N5O3/c1-9(17-4-8(15)16)5-14(6-9)3-7-10-12-13(2)11-7/h3-6H2,1-2H3,(H,15,16)
InChIKeyJWEUFKQGJWSWOJ-UHFFFAOYSA-N
MW241.25 g/mol
LogP-1.11
Rot. Bonds5

About 2-[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]azetidin-3-yl]oxyacetic acid

2-[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]azetidin-3-yl]oxyacetic acid (PubChem CID 107045066) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]azetidin-3-yl]oxyacetic acid
PubChem CID107045066
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC Name2-[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]azetidin-3-yl]oxyacetic acid
SMILESCn1nnc(CN2CC(C)(OCC(=O)O)C2)n1
InChIInChI=1S/C9H15N5O3/c1-9(17-4-8(15)16)5-14(6-9)3-7-10-12-13(2)11-7/h3-6H2,1-2H3,(H,15,16)
InChIKeyJWEUFKQGJWSWOJ-UHFFFAOYSA-N
XLogP-1.11
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid
CID 107044942
4-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine-4-carboxylic acid
CID 107044922
2-[1-[(4-chlorophenyl)methyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659248
2-[1-(3-aminopropyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659532
2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]acetic acid
CID 107044977
2-[1-(2-hydroxypropyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659347
1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107063602
3-(2-methyltetrazol-5-yl)propanoic acid
CID 22069179
2-[3-methyl-1-(naphthalen-2-ylmethyl)azetidin-3-yl]oxyacetic acid
CID 102659870
2-[1-[(E)-but-2-enyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659302
2-[1-[(2-bromo-4-methylphenyl)methyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659996
2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659568

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]azetidin-3-yl]oxyacetic acid (CID 107045066) is 2-[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]azetidin-3-yl]oxyacetic acid is Cn1nnc(CN2CC(C)(OCC(=O)O)C2)n1.
What is the InChIKey of 2-[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]azetidin-3-yl]oxyacetic acid?
The InChIKey is JWEUFKQGJWSWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3/c1-9(17-4-8(15)16)5-14(6-9)3-7-10-12-13(2)11-7/h3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]azetidin-3-yl]oxyacetic acid has a molecular weight of 241.25 g/mol, XLogP of -1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 107045066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).