N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-(tetrazol-1-yl)acetamide

C8H14N6O2 — CID 43595898

IUPACN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-(tetrazol-1-yl)acetamide
SMILESCN(C(=O)Cn1cnnn1)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C8H14N6O2/c1-13(6-2-9-3-7(6)15)8(16)4-14-5-10-11-12-14/h5-7,9,15H,2-4H2,1H3/t6-,7-/m1/s1
InChIKeyBBNSEUNFEPYMMH-RNFRBKRXSA-N
MW226.24 g/mol
LogP-2.54
Rot. Bonds3

About N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-(tetrazol-1-yl)acetamide

N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-(tetrazol-1-yl)acetamide (PubChem CID 43595898) has the molecular formula C8H14N6O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-(tetrazol-1-yl)acetamide
PubChem CID43595898
Molecular FormulaC8H14N6O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-(tetrazol-1-yl)acetamide
SMILESCN(C(=O)Cn1cnnn1)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C8H14N6O2/c1-13(6-2-9-3-7(6)15)8(16)4-14-5-10-11-12-14/h5-7,9,15H,2-4H2,1H3/t6-,7-/m1/s1
InChIKeyBBNSEUNFEPYMMH-RNFRBKRXSA-N
XLogP-2.54
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-2.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-(tetrazol-1-yl)acetamide (CID 43595898) is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-(tetrazol-1-yl)acetamide is CN(C(=O)Cn1cnnn1)[C@@H]1CNC[C@H]1O.
What is the InChIKey of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-(tetrazol-1-yl)acetamide?
The InChIKey is BBNSEUNFEPYMMH-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H14N6O2/c1-13(6-2-9-3-7(6)15)8(16)4-14-5-10-11-12-14/h5-7,9,15H,2-4H2,1H3/t6-,7-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-(tetrazol-1-yl)acetamide?
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-(tetrazol-1-yl)acetamide has a molecular weight of 226.24 g/mol, XLogP of -2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 43595898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).