methyl 2-[cyclopentyl-[(1-propyltetrazol-5-yl)methyl]amino]acetate

C13H23N5O2 — CID 80710228

IUPACmethyl 2-[cyclopentyl-[(1-propyltetrazol-5-yl)methyl]amino]acetate
SMILESCCCn1nnnc1CN(CC(=O)OC)C1CCCC1
InChIInChI=1S/C13H23N5O2/c1-3-8-18-12(14-15-16-18)9-17(10-13(19)20-2)11-6-4-5-7-11/h11H,3-10H2,1-2H3
InChIKeyLCVZFUZWKUBYNR-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.00
Rot. Bonds7

About methyl 2-[cyclopentyl-[(1-propyltetrazol-5-yl)methyl]amino]acetate

methyl 2-[cyclopentyl-[(1-propyltetrazol-5-yl)methyl]amino]acetate (PubChem CID 80710228) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is methyl 2-[cyclopentyl-[(1-propyltetrazol-5-yl)methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl-[(1-propyltetrazol-5-yl)methyl]amino]acetate
PubChem CID80710228
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Namemethyl 2-[cyclopentyl-[(1-propyltetrazol-5-yl)methyl]amino]acetate
SMILESCCCn1nnnc1CN(CC(=O)OC)C1CCCC1
InChIInChI=1S/C13H23N5O2/c1-3-8-18-12(14-15-16-18)9-17(10-13(19)20-2)11-6-4-5-7-11/h11H,3-10H2,1-2H3
InChIKeyLCVZFUZWKUBYNR-UHFFFAOYSA-N
XLogP1.00
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl-[(1-propyltetrazol-5-yl)methyl]amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl-[(1-propyltetrazol-5-yl)methyl]amino]acetate (CID 80710228) is methyl 2-[cyclopentyl-[(1-propyltetrazol-5-yl)methyl]amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl-[(1-propyltetrazol-5-yl)methyl]amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl-[(1-propyltetrazol-5-yl)methyl]amino]acetate is CCCn1nnnc1CN(CC(=O)OC)C1CCCC1.
What is the InChIKey of methyl 2-[cyclopentyl-[(1-propyltetrazol-5-yl)methyl]amino]acetate?
The InChIKey is LCVZFUZWKUBYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-3-8-18-12(14-15-16-18)9-17(10-13(19)20-2)11-6-4-5-7-11/h11H,3-10H2,1-2H3.
What are the key properties of methyl 2-[cyclopentyl-[(1-propyltetrazol-5-yl)methyl]amino]acetate?
methyl 2-[cyclopentyl-[(1-propyltetrazol-5-yl)methyl]amino]acetate has a molecular weight of 281.36 g/mol, XLogP of 1.00, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl-[(1-propyltetrazol-5-yl)methyl]amino]acetate is sourced from PubChem (CID 80710228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).