(5-methyl-2-propan-2-ylcyclohexyl) 2-(5-carbamoyltetrazol-2-yl)acetate

C14H23N5O3 — CID 126829772

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) 2-(5-carbamoyltetrazol-2-yl)acetate
SMILESCC1CCC(C(C)C)C(OC(=O)Cn2nnc(C(N)=O)n2)C1
InChIInChI=1S/C14H23N5O3/c1-8(2)10-5-4-9(3)6-11(10)22-12(20)7-19-17-14(13(15)21)16-18-19/h8-11H,4-7H2,1-3H3,(H2,15,21)
InChIKeySZUMKMDVGSJAKZ-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.78
Rot. Bonds5

About (5-methyl-2-propan-2-ylcyclohexyl) 2-(5-carbamoyltetrazol-2-yl)acetate

(5-methyl-2-propan-2-ylcyclohexyl) 2-(5-carbamoyltetrazol-2-yl)acetate (PubChem CID 126829772) has the molecular formula C14H23N5O3 and a molecular weight of 309.37 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) 2-(5-carbamoyltetrazol-2-yl)acetate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) 2-(5-carbamoyltetrazol-2-yl)acetate
PubChem CID126829772
Molecular FormulaC14H23N5O3
Molecular Weight309.37 g/mol
Exact Mass309.18
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) 2-(5-carbamoyltetrazol-2-yl)acetate
SMILESCC1CCC(C(C)C)C(OC(=O)Cn2nnc(C(N)=O)n2)C1
InChIInChI=1S/C14H23N5O3/c1-8(2)10-5-4-9(3)6-11(10)22-12(20)7-19-17-14(13(15)21)16-18-19/h8-11H,4-7H2,1-3H3,(H2,15,21)
InChIKeySZUMKMDVGSJAKZ-UHFFFAOYSA-N
XLogP0.78
TPSA112.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 2-(5-carbamoyltetrazol-2-yl)acetate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 2-(5-carbamoyltetrazol-2-yl)acetate (CID 126829772) is (5-methyl-2-propan-2-ylcyclohexyl) 2-(5-carbamoyltetrazol-2-yl)acetate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) 2-(5-carbamoyltetrazol-2-yl)acetate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) 2-(5-carbamoyltetrazol-2-yl)acetate is CC1CCC(C(C)C)C(OC(=O)Cn2nnc(C(N)=O)n2)C1.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) 2-(5-carbamoyltetrazol-2-yl)acetate?
The InChIKey is SZUMKMDVGSJAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3/c1-8(2)10-5-4-9(3)6-11(10)22-12(20)7-19-17-14(13(15)21)16-18-19/h8-11H,4-7H2,1-3H3,(H2,15,21).
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) 2-(5-carbamoyltetrazol-2-yl)acetate?
(5-methyl-2-propan-2-ylcyclohexyl) 2-(5-carbamoyltetrazol-2-yl)acetate has a molecular weight of 309.37 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl) 2-(5-carbamoyltetrazol-2-yl)acetate is sourced from PubChem (CID 126829772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).