2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetic acid

C10H16N4O2 — CID 45495403

IUPAC2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetic acid
SMILESO=C(O)CC1(Cn2cnnn2)CCCCC1
InChIInChI=1S/C10H16N4O2/c15-9(16)6-10(4-2-1-3-5-10)7-14-8-11-12-13-14/h8H,1-7H2,(H,15,16)
InChIKeyANSFBWSCPNYMFA-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.10
Rot. Bonds4

About 2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetic acid

2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetic acid (PubChem CID 45495403) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetic acid
PubChem CID45495403
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetic acid
SMILESO=C(O)CC1(Cn2cnnn2)CCCCC1
InChIInChI=1S/C10H16N4O2/c15-9(16)6-10(4-2-1-3-5-10)7-14-8-11-12-13-14/h8H,1-7H2,(H,15,16)
InChIKeyANSFBWSCPNYMFA-UHFFFAOYSA-N
XLogP1.10
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetic acid?
The IUPAC name of 2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetic acid (CID 45495403) is 2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetic acid is O=C(O)CC1(Cn2cnnn2)CCCCC1.
What is the InChIKey of 2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetic acid?
The InChIKey is ANSFBWSCPNYMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c15-9(16)6-10(4-2-1-3-5-10)7-14-8-11-12-13-14/h8H,1-7H2,(H,15,16).
What are the key properties of 2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetic acid?
2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetic acid has a molecular weight of 224.26 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetic acid is sourced from PubChem (CID 45495403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).