N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide

C15H29N7O — CID 25297376

IUPACN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
SMILESCCN1CCC[C@@H]1CNC(=O)Cn1nnnc1CN(C)C(C)C
InChIInChI=1S/C15H29N7O/c1-5-21-8-6-7-13(21)9-16-15(23)11-22-14(17-18-19-22)10-20(4)12(2)3/h12-13H,5-11H2,1-4H3,(H,16,23)/t13-/m1/s1
InChIKeyGXUJNDIBUPQDQD-CYBMUJFWSA-N
MW323.45 g/mol
LogP0.11
Rot. Bonds8

About N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide (PubChem CID 25297376) has the molecular formula C15H29N7O and a molecular weight of 323.45 g/mol. Its IUPAC name is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
PubChem CID25297376
Molecular FormulaC15H29N7O
Molecular Weight323.45 g/mol
Exact Mass323.24
IUPAC NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
SMILESCCN1CCC[C@@H]1CNC(=O)Cn1nnnc1CN(C)C(C)C
InChIInChI=1S/C15H29N7O/c1-5-21-8-6-7-13(21)9-16-15(23)11-22-14(17-18-19-22)10-20(4)12(2)3/h12-13H,5-11H2,1-4H3,(H,16,23)/t13-/m1/s1
InChIKeyGXUJNDIBUPQDQD-CYBMUJFWSA-N
XLogP0.11
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.45
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
The IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide (CID 25297376) is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide.
What is the SMILES notation for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
The canonical SMILES for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide is CCN1CCC[C@@H]1CNC(=O)Cn1nnnc1CN(C)C(C)C.
What is the InChIKey of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
The InChIKey is GXUJNDIBUPQDQD-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H29N7O/c1-5-21-8-6-7-13(21)9-16-15(23)11-22-14(17-18-19-22)10-20(4)12(2)3/h12-13H,5-11H2,1-4H3,(H,16,23)/t13-/m1/s1.
What are the key properties of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide has a molecular weight of 323.45 g/mol, XLogP of 0.11, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide is sourced from PubChem (CID 25297376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).