(1-propyltetrazol-5-yl)methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate

C14H22N4O2 — CID 55397357

IUPAC(1-propyltetrazol-5-yl)methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESCCCn1nnnc1COC(=O)CC1CC2CCC1C2
InChIInChI=1S/C14H22N4O2/c1-2-5-18-13(15-16-17-18)9-20-14(19)8-12-7-10-3-4-11(12)6-10/h10-12H,2-9H2,1H3
InChIKeyVCGIIDWZHUTDGI-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.95
Rot. Bonds6

About (1-propyltetrazol-5-yl)methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate

(1-propyltetrazol-5-yl)methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate (PubChem CID 55397357) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is (1-propyltetrazol-5-yl)methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate.

Molecular Properties

Compound Name(1-propyltetrazol-5-yl)methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
PubChem CID55397357
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name(1-propyltetrazol-5-yl)methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESCCCn1nnnc1COC(=O)CC1CC2CCC1C2
InChIInChI=1S/C14H22N4O2/c1-2-5-18-13(15-16-17-18)9-20-14(19)8-12-7-10-3-4-11(12)6-10/h10-12H,2-9H2,1H3
InChIKeyVCGIIDWZHUTDGI-UHFFFAOYSA-N
XLogP1.95
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

propyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 43389559
ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 10655027
[4-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxymethyl]phenyl]methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 23850335
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 22525444
(4,6-diamino-1,3,5-triazin-2-yl)methyl 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11923520
N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]methyl]propan-1-amine
CID 63686121
(1-propyltetrazol-5-yl)methyl 2-phenoxyacetate
CID 55397419
(4-aminopyrimidin-5-yl)methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 71913282
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11930640
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 4814618
(5-phenyl-1,2-oxazol-3-yl)methyl 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11937894
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11916769

Frequently Asked Questions

What is the IUPAC name of (1-propyltetrazol-5-yl)methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The IUPAC name of (1-propyltetrazol-5-yl)methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate (CID 55397357) is (1-propyltetrazol-5-yl)methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate.
What is the SMILES notation for (1-propyltetrazol-5-yl)methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The canonical SMILES for (1-propyltetrazol-5-yl)methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate is CCCn1nnnc1COC(=O)CC1CC2CCC1C2.
What is the InChIKey of (1-propyltetrazol-5-yl)methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The InChIKey is VCGIIDWZHUTDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-2-5-18-13(15-16-17-18)9-20-14(19)8-12-7-10-3-4-11(12)6-10/h10-12H,2-9H2,1H3.
What are the key properties of (1-propyltetrazol-5-yl)methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate?
(1-propyltetrazol-5-yl)methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate has a molecular weight of 278.36 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propyltetrazol-5-yl)methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate is sourced from PubChem (CID 55397357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).