[(2S,3S)-3-amino-4-oxoazetidin-2-yl]methyl carbamate

C5H9N3O3 — CID 14095504

IUPAC[(2S,3S)-3-amino-4-oxoazetidin-2-yl]methyl carbamate
SMILESNC(=O)OC[C@H]1NC(=O)[C@H]1N
InChIInChI=1S/C5H9N3O3/c6-3-2(8-4(3)9)1-11-5(7)10/h2-3H,1,6H2,(H2,7,10)(H,8,9)/t2-,3+/m1/s1
InChIKeyDHXYGTAPMNUQON-GBXIJSLDSA-N
MW159.14 g/mol
LogP-2.09
Rot. Bonds2

About [(2S,3S)-3-amino-4-oxoazetidin-2-yl]methyl carbamate

[(2S,3S)-3-amino-4-oxoazetidin-2-yl]methyl carbamate (PubChem CID 14095504) has the molecular formula C5H9N3O3 and a molecular weight of 159.14 g/mol. Its IUPAC name is [(2S,3S)-3-amino-4-oxoazetidin-2-yl]methyl carbamate.

Molecular Properties

Compound Name[(2S,3S)-3-amino-4-oxoazetidin-2-yl]methyl carbamate
PubChem CID14095504
Molecular FormulaC5H9N3O3
Molecular Weight159.14 g/mol
Exact Mass159.06
IUPAC Name[(2S,3S)-3-amino-4-oxoazetidin-2-yl]methyl carbamate
SMILESNC(=O)OC[C@H]1NC(=O)[C@H]1N
InChIInChI=1S/C5H9N3O3/c6-3-2(8-4(3)9)1-11-5(7)10/h2-3H,1,6H2,(H2,7,10)(H,8,9)/t2-,3+/m1/s1
InChIKeyDHXYGTAPMNUQON-GBXIJSLDSA-N
XLogP-2.09
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-2.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-amino-4-oxoazetidin-2-yl]methyl carbamate?
The IUPAC name of [(2S,3S)-3-amino-4-oxoazetidin-2-yl]methyl carbamate (CID 14095504) is [(2S,3S)-3-amino-4-oxoazetidin-2-yl]methyl carbamate.
What is the SMILES notation for [(2S,3S)-3-amino-4-oxoazetidin-2-yl]methyl carbamate?
The canonical SMILES for [(2S,3S)-3-amino-4-oxoazetidin-2-yl]methyl carbamate is NC(=O)OC[C@H]1NC(=O)[C@H]1N.
What is the InChIKey of [(2S,3S)-3-amino-4-oxoazetidin-2-yl]methyl carbamate?
The InChIKey is DHXYGTAPMNUQON-GBXIJSLDSA-N. The full InChI is InChI=1S/C5H9N3O3/c6-3-2(8-4(3)9)1-11-5(7)10/h2-3H,1,6H2,(H2,7,10)(H,8,9)/t2-,3+/m1/s1.
What are the key properties of [(2S,3S)-3-amino-4-oxoazetidin-2-yl]methyl carbamate?
[(2S,3S)-3-amino-4-oxoazetidin-2-yl]methyl carbamate has a molecular weight of 159.14 g/mol, XLogP of -2.09, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-amino-4-oxoazetidin-2-yl]methyl carbamate is sourced from PubChem (CID 14095504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).