(3S,4R)-3-amino-1-(2-benzyltetrazol-5-yl)-4-methylazetidin-2-one

C12H14N6O — CID 130757058

IUPAC(3S,4R)-3-amino-1-(2-benzyltetrazol-5-yl)-4-methylazetidin-2-one
SMILESC[C@@H]1[C@H](N)C(=O)N1c1nnn(Cc2ccccc2)n1
InChIInChI=1S/C12H14N6O/c1-8-10(13)11(19)18(8)12-14-16-17(15-12)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3/t8-,10+/m1/s1
InChIKeyFQDMGIKZYOMJAO-SCZZXKLOSA-N
MW258.28 g/mol
LogP-0.22
Rot. Bonds3

About (3S,4R)-3-amino-1-(2-benzyltetrazol-5-yl)-4-methylazetidin-2-one

(3S,4R)-3-amino-1-(2-benzyltetrazol-5-yl)-4-methylazetidin-2-one (PubChem CID 130757058) has the molecular formula C12H14N6O and a molecular weight of 258.28 g/mol. Its IUPAC name is (3S,4R)-3-amino-1-(2-benzyltetrazol-5-yl)-4-methylazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-amino-1-(2-benzyltetrazol-5-yl)-4-methylazetidin-2-one
PubChem CID130757058
Molecular FormulaC12H14N6O
Molecular Weight258.28 g/mol
Exact Mass258.12
IUPAC Name(3S,4R)-3-amino-1-(2-benzyltetrazol-5-yl)-4-methylazetidin-2-one
SMILESC[C@@H]1[C@H](N)C(=O)N1c1nnn(Cc2ccccc2)n1
InChIInChI=1S/C12H14N6O/c1-8-10(13)11(19)18(8)12-14-16-17(15-12)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3/t8-,10+/m1/s1
InChIKeyFQDMGIKZYOMJAO-SCZZXKLOSA-N
XLogP-0.22
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S,4S)-3-amino-4-methyl-1-(2H-tetrazol-5-yl)azetidin-2-one
CID 13273833
(3S,4S)-3-amino-1-benzyl-4-phenylazetidin-2-one
CID 40999549
2-amino-1-(2-benzyltetrazol-5-yl)propan-1-one
CID 84794327
2-benzyl-5-(2,2-dimethylpropyl)tetrazole
CID 69033394
(3R,4R)-3-amino-4-methyl-1-naphthalen-1-ylazetidin-2-one
CID 124676524
2-benzyl-5-ethynyltetrazole
CID 146155453
(1R,2R)-1,2-bis(2-benzyltetrazol-5-yl)ethane-1,2-diol
CID 11268940
(3R,5R)-1-benzyl-3-methyl-5-phenylpyrrolidin-2-one
CID 102276897
3-amino-4,5-dimethyl-1-phenylpyrrolidin-2-one
CID 70547159
2-(2-benzyltetrazol-5-yl)propanenitrile
CID 84782732
2-amino-1-(2-benzyltetrazol-5-yl)ethanol
CID 84786669
3-amino-1-benzyl-4-(5-methylfuran-2-yl)azetidin-2-one
CID 102537098

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-amino-1-(2-benzyltetrazol-5-yl)-4-methylazetidin-2-one?
The IUPAC name of (3S,4R)-3-amino-1-(2-benzyltetrazol-5-yl)-4-methylazetidin-2-one (CID 130757058) is (3S,4R)-3-amino-1-(2-benzyltetrazol-5-yl)-4-methylazetidin-2-one.
What is the SMILES notation for (3S,4R)-3-amino-1-(2-benzyltetrazol-5-yl)-4-methylazetidin-2-one?
The canonical SMILES for (3S,4R)-3-amino-1-(2-benzyltetrazol-5-yl)-4-methylazetidin-2-one is C[C@@H]1[C@H](N)C(=O)N1c1nnn(Cc2ccccc2)n1.
What is the InChIKey of (3S,4R)-3-amino-1-(2-benzyltetrazol-5-yl)-4-methylazetidin-2-one?
The InChIKey is FQDMGIKZYOMJAO-SCZZXKLOSA-N. The full InChI is InChI=1S/C12H14N6O/c1-8-10(13)11(19)18(8)12-14-16-17(15-12)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3/t8-,10+/m1/s1.
What are the key properties of (3S,4R)-3-amino-1-(2-benzyltetrazol-5-yl)-4-methylazetidin-2-one?
(3S,4R)-3-amino-1-(2-benzyltetrazol-5-yl)-4-methylazetidin-2-one has a molecular weight of 258.28 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-amino-1-(2-benzyltetrazol-5-yl)-4-methylazetidin-2-one is sourced from PubChem (CID 130757058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).