[2-[[(2R,3S)-3-amino-4-oxoazetidin-2-yl]methyl]tetrazol-5-yl]methyl-tert-butylcarbamic acid

C11H19N7O3 — CID 118380241

IUPAC[2-[[(2R,3S)-3-amino-4-oxoazetidin-2-yl]methyl]tetrazol-5-yl]methyl-tert-butylcarbamic acid
SMILESCC(C)(C)N(Cc1nnn(C[C@H]2NC(=O)[C@H]2N)n1)C(=O)O
InChIInChI=1S/C11H19N7O3/c1-11(2,3)17(10(20)21)5-7-14-16-18(15-7)4-6-8(12)9(19)13-6/h6,8H,4-5,12H2,1-3H3,(H,13,19)(H,20,21)/t6-,8+/m1/s1
InChIKeyUCSSTAZBKONKRU-SVRRBLITSA-N
MW297.32 g/mol
LogP-1.22
Rot. Bonds4

About [2-[[(2R,3S)-3-amino-4-oxoazetidin-2-yl]methyl]tetrazol-5-yl]methyl-tert-butylcarbamic acid

[2-[[(2R,3S)-3-amino-4-oxoazetidin-2-yl]methyl]tetrazol-5-yl]methyl-tert-butylcarbamic acid (PubChem CID 118380241) has the molecular formula C11H19N7O3 and a molecular weight of 297.32 g/mol. Its IUPAC name is [2-[[(2R,3S)-3-amino-4-oxoazetidin-2-yl]methyl]tetrazol-5-yl]methyl-tert-butylcarbamic acid.

Molecular Properties

Compound Name[2-[[(2R,3S)-3-amino-4-oxoazetidin-2-yl]methyl]tetrazol-5-yl]methyl-tert-butylcarbamic acid
PubChem CID118380241
Molecular FormulaC11H19N7O3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC Name[2-[[(2R,3S)-3-amino-4-oxoazetidin-2-yl]methyl]tetrazol-5-yl]methyl-tert-butylcarbamic acid
SMILESCC(C)(C)N(Cc1nnn(C[C@H]2NC(=O)[C@H]2N)n1)C(=O)O
InChIInChI=1S/C11H19N7O3/c1-11(2,3)17(10(20)21)5-7-14-16-18(15-7)4-6-8(12)9(19)13-6/h6,8H,4-5,12H2,1-3H3,(H,13,19)(H,20,21)/t6-,8+/m1/s1
InChIKeyUCSSTAZBKONKRU-SVRRBLITSA-N
XLogP-1.22
TPSA139.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[[(2R,3S)-3-amino-4-oxoazetidin-2-yl]methyl]tetrazol-5-yl]methyl-tert-butylcarbamic acid?
The IUPAC name of [2-[[(2R,3S)-3-amino-4-oxoazetidin-2-yl]methyl]tetrazol-5-yl]methyl-tert-butylcarbamic acid (CID 118380241) is [2-[[(2R,3S)-3-amino-4-oxoazetidin-2-yl]methyl]tetrazol-5-yl]methyl-tert-butylcarbamic acid.
What is the SMILES notation for [2-[[(2R,3S)-3-amino-4-oxoazetidin-2-yl]methyl]tetrazol-5-yl]methyl-tert-butylcarbamic acid?
The canonical SMILES for [2-[[(2R,3S)-3-amino-4-oxoazetidin-2-yl]methyl]tetrazol-5-yl]methyl-tert-butylcarbamic acid is CC(C)(C)N(Cc1nnn(C[C@H]2NC(=O)[C@H]2N)n1)C(=O)O.
What is the InChIKey of [2-[[(2R,3S)-3-amino-4-oxoazetidin-2-yl]methyl]tetrazol-5-yl]methyl-tert-butylcarbamic acid?
The InChIKey is UCSSTAZBKONKRU-SVRRBLITSA-N. The full InChI is InChI=1S/C11H19N7O3/c1-11(2,3)17(10(20)21)5-7-14-16-18(15-7)4-6-8(12)9(19)13-6/h6,8H,4-5,12H2,1-3H3,(H,13,19)(H,20,21)/t6-,8+/m1/s1.
What are the key properties of [2-[[(2R,3S)-3-amino-4-oxoazetidin-2-yl]methyl]tetrazol-5-yl]methyl-tert-butylcarbamic acid?
[2-[[(2R,3S)-3-amino-4-oxoazetidin-2-yl]methyl]tetrazol-5-yl]methyl-tert-butylcarbamic acid has a molecular weight of 297.32 g/mol, XLogP of -1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2R,3S)-3-amino-4-oxoazetidin-2-yl]methyl]tetrazol-5-yl]methyl-tert-butylcarbamic acid is sourced from PubChem (CID 118380241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).