(3S,4S)-3-amino-4-methyl-1-(2H-tetrazol-5-yl)azetidin-2-one

C5H8N6O — CID 13273833

IUPAC(3S,4S)-3-amino-4-methyl-1-(2H-tetrazol-5-yl)azetidin-2-one
SMILESC[C@H]1[C@H](N)C(=O)N1c1nn[nH]n1
InChIInChI=1S/C5H8N6O/c1-2-3(6)4(12)11(2)5-7-9-10-8-5/h2-3H,6H2,1H3,(H,7,8,9,10)/t2-,3-/m0/s1
InChIKeyHJDBJKGPDBNFLD-HRFVKAFMSA-N
MW168.16 g/mol
LogP-1.74
Rot. Bonds1

About (3S,4S)-3-amino-4-methyl-1-(2H-tetrazol-5-yl)azetidin-2-one

(3S,4S)-3-amino-4-methyl-1-(2H-tetrazol-5-yl)azetidin-2-one (PubChem CID 13273833) has the molecular formula C5H8N6O and a molecular weight of 168.16 g/mol. Its IUPAC name is (3S,4S)-3-amino-4-methyl-1-(2H-tetrazol-5-yl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-amino-4-methyl-1-(2H-tetrazol-5-yl)azetidin-2-one
PubChem CID13273833
Molecular FormulaC5H8N6O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Name(3S,4S)-3-amino-4-methyl-1-(2H-tetrazol-5-yl)azetidin-2-one
SMILESC[C@H]1[C@H](N)C(=O)N1c1nn[nH]n1
InChIInChI=1S/C5H8N6O/c1-2-3(6)4(12)11(2)5-7-9-10-8-5/h2-3H,6H2,1H3,(H,7,8,9,10)/t2-,3-/m0/s1
InChIKeyHJDBJKGPDBNFLD-HRFVKAFMSA-N
XLogP-1.74
TPSA100.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-1.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-amino-4-methyl-1-(2H-tetrazol-5-yl)azetidin-2-one?
The IUPAC name of (3S,4S)-3-amino-4-methyl-1-(2H-tetrazol-5-yl)azetidin-2-one (CID 13273833) is (3S,4S)-3-amino-4-methyl-1-(2H-tetrazol-5-yl)azetidin-2-one.
What is the SMILES notation for (3S,4S)-3-amino-4-methyl-1-(2H-tetrazol-5-yl)azetidin-2-one?
The canonical SMILES for (3S,4S)-3-amino-4-methyl-1-(2H-tetrazol-5-yl)azetidin-2-one is C[C@H]1[C@H](N)C(=O)N1c1nn[nH]n1.
What is the InChIKey of (3S,4S)-3-amino-4-methyl-1-(2H-tetrazol-5-yl)azetidin-2-one?
The InChIKey is HJDBJKGPDBNFLD-HRFVKAFMSA-N. The full InChI is InChI=1S/C5H8N6O/c1-2-3(6)4(12)11(2)5-7-9-10-8-5/h2-3H,6H2,1H3,(H,7,8,9,10)/t2-,3-/m0/s1.
What are the key properties of (3S,4S)-3-amino-4-methyl-1-(2H-tetrazol-5-yl)azetidin-2-one?
(3S,4S)-3-amino-4-methyl-1-(2H-tetrazol-5-yl)azetidin-2-one has a molecular weight of 168.16 g/mol, XLogP of -1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-amino-4-methyl-1-(2H-tetrazol-5-yl)azetidin-2-one is sourced from PubChem (CID 13273833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).