N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide

C8H14N6O2 — CID 43594084

IUPACN-[(4S)-4-methoxypyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide
SMILESCO[C@H]1CNCC1NC(=O)Cn1cnnn1
InChIInChI=1S/C8H14N6O2/c1-16-7-3-9-2-6(7)11-8(15)4-14-5-10-12-13-14/h5-7,9H,2-4H2,1H3,(H,11,15)/t6?,7-/m0/s1
InChIKeyBUEGTJHPTMDZPY-MLWJPKLSSA-N
MW226.24 g/mol
LogP-2.22
Rot. Bonds4

About N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide

N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide (PubChem CID 43594084) has the molecular formula C8H14N6O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4S)-4-methoxypyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide
PubChem CID43594084
Molecular FormulaC8H14N6O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC NameN-[(4S)-4-methoxypyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide
SMILESCO[C@H]1CNCC1NC(=O)Cn1cnnn1
InChIInChI=1S/C8H14N6O2/c1-16-7-3-9-2-6(7)11-8(15)4-14-5-10-12-13-14/h5-7,9H,2-4H2,1H3,(H,11,15)/t6?,7-/m0/s1
InChIKeyBUEGTJHPTMDZPY-MLWJPKLSSA-N
XLogP-2.22
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-2.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide (CID 43594084) is N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide is CO[C@H]1CNCC1NC(=O)Cn1cnnn1.
What is the InChIKey of N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is BUEGTJHPTMDZPY-MLWJPKLSSA-N. The full InChI is InChI=1S/C8H14N6O2/c1-16-7-3-9-2-6(7)11-8(15)4-14-5-10-12-13-14/h5-7,9H,2-4H2,1H3,(H,11,15)/t6?,7-/m0/s1.
What are the key properties of N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide?
N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 226.24 g/mol, XLogP of -2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 43594084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).