[(2S,3S)-2-[(5-methyltetrazol-1-yl)methyl]-4-oxoazetidin-3-yl]carbamic acid

C7H10N6O3 — CID 118475494

IUPAC[(2S,3S)-2-[(5-methyltetrazol-1-yl)methyl]-4-oxoazetidin-3-yl]carbamic acid
SMILESCc1nnnn1C[C@@H]1NC(=O)[C@H]1NC(=O)O
InChIInChI=1S/C7H10N6O3/c1-3-10-11-12-13(3)2-4-5(6(14)8-4)9-7(15)16/h4-5,9H,2H2,1H3,(H,8,14)(H,15,16)/t4-,5-/m0/s1
InChIKeyMIHNOJVTLATVJU-WHFBIAKZSA-N
MW226.20 g/mol
LogP-1.88
Rot. Bonds3

About [(2S,3S)-2-[(5-methyltetrazol-1-yl)methyl]-4-oxoazetidin-3-yl]carbamic acid

[(2S,3S)-2-[(5-methyltetrazol-1-yl)methyl]-4-oxoazetidin-3-yl]carbamic acid (PubChem CID 118475494) has the molecular formula C7H10N6O3 and a molecular weight of 226.20 g/mol. Its IUPAC name is [(2S,3S)-2-[(5-methyltetrazol-1-yl)methyl]-4-oxoazetidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(2S,3S)-2-[(5-methyltetrazol-1-yl)methyl]-4-oxoazetidin-3-yl]carbamic acid
PubChem CID118475494
Molecular FormulaC7H10N6O3
Molecular Weight226.20 g/mol
Exact Mass226.08
IUPAC Name[(2S,3S)-2-[(5-methyltetrazol-1-yl)methyl]-4-oxoazetidin-3-yl]carbamic acid
SMILESCc1nnnn1C[C@@H]1NC(=O)[C@H]1NC(=O)O
InChIInChI=1S/C7H10N6O3/c1-3-10-11-12-13(3)2-4-5(6(14)8-4)9-7(15)16/h4-5,9H,2H2,1H3,(H,8,14)(H,15,16)/t4-,5-/m0/s1
InChIKeyMIHNOJVTLATVJU-WHFBIAKZSA-N
XLogP-1.88
TPSA122.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 5-1.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-2-[(5-methyltetrazol-1-yl)methyl]-4-oxoazetidin-3-yl]carbamic acid?
The IUPAC name of [(2S,3S)-2-[(5-methyltetrazol-1-yl)methyl]-4-oxoazetidin-3-yl]carbamic acid (CID 118475494) is [(2S,3S)-2-[(5-methyltetrazol-1-yl)methyl]-4-oxoazetidin-3-yl]carbamic acid.
What is the SMILES notation for [(2S,3S)-2-[(5-methyltetrazol-1-yl)methyl]-4-oxoazetidin-3-yl]carbamic acid?
The canonical SMILES for [(2S,3S)-2-[(5-methyltetrazol-1-yl)methyl]-4-oxoazetidin-3-yl]carbamic acid is Cc1nnnn1C[C@@H]1NC(=O)[C@H]1NC(=O)O.
What is the InChIKey of [(2S,3S)-2-[(5-methyltetrazol-1-yl)methyl]-4-oxoazetidin-3-yl]carbamic acid?
The InChIKey is MIHNOJVTLATVJU-WHFBIAKZSA-N. The full InChI is InChI=1S/C7H10N6O3/c1-3-10-11-12-13(3)2-4-5(6(14)8-4)9-7(15)16/h4-5,9H,2H2,1H3,(H,8,14)(H,15,16)/t4-,5-/m0/s1.
What are the key properties of [(2S,3S)-2-[(5-methyltetrazol-1-yl)methyl]-4-oxoazetidin-3-yl]carbamic acid?
[(2S,3S)-2-[(5-methyltetrazol-1-yl)methyl]-4-oxoazetidin-3-yl]carbamic acid has a molecular weight of 226.20 g/mol, XLogP of -1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2-[(5-methyltetrazol-1-yl)methyl]-4-oxoazetidin-3-yl]carbamic acid is sourced from PubChem (CID 118475494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).