3-[(2R,3S)-3-amino-4-oxoazetidin-2-yl]oxybenzoic acid

C10H10N2O4 — CID 57171190

IUPAC3-[(2R,3S)-3-amino-4-oxoazetidin-2-yl]oxybenzoic acid
SMILESN[C@@H]1C(=O)N[C@@H]1Oc1cccc(C(=O)O)c1
InChIInChI=1S/C10H10N2O4/c11-7-8(13)12-9(7)16-6-3-1-2-5(4-6)10(14)15/h1-4,7,9H,11H2,(H,12,13)(H,14,15)/t7-,9-/m1/s1
InChIKeyPRYDSWXEGYHOPC-VXNVDRBHSA-N
MW222.20 g/mol
LogP-0.45
Rot. Bonds3

About 3-[(2R,3S)-3-amino-4-oxoazetidin-2-yl]oxybenzoic acid

3-[(2R,3S)-3-amino-4-oxoazetidin-2-yl]oxybenzoic acid (PubChem CID 57171190) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 3-[(2R,3S)-3-amino-4-oxoazetidin-2-yl]oxybenzoic acid.

Molecular Properties

Compound Name3-[(2R,3S)-3-amino-4-oxoazetidin-2-yl]oxybenzoic acid
PubChem CID57171190
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name3-[(2R,3S)-3-amino-4-oxoazetidin-2-yl]oxybenzoic acid
SMILESN[C@@H]1C(=O)N[C@@H]1Oc1cccc(C(=O)O)c1
InChIInChI=1S/C10H10N2O4/c11-7-8(13)12-9(7)16-6-3-1-2-5(4-6)10(14)15/h1-4,7,9H,11H2,(H,12,13)(H,14,15)/t7-,9-/m1/s1
InChIKeyPRYDSWXEGYHOPC-VXNVDRBHSA-N
XLogP-0.45
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(2R,3S)-3-amino-4-oxoazetidin-2-yl]oxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,3S)-3-amino-4-oxoazetidin-2-yl]oxybenzoic acid?
The IUPAC name of 3-[(2R,3S)-3-amino-4-oxoazetidin-2-yl]oxybenzoic acid (CID 57171190) is 3-[(2R,3S)-3-amino-4-oxoazetidin-2-yl]oxybenzoic acid.
What is the SMILES notation for 3-[(2R,3S)-3-amino-4-oxoazetidin-2-yl]oxybenzoic acid?
The canonical SMILES for 3-[(2R,3S)-3-amino-4-oxoazetidin-2-yl]oxybenzoic acid is N[C@@H]1C(=O)N[C@@H]1Oc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(2R,3S)-3-amino-4-oxoazetidin-2-yl]oxybenzoic acid?
The InChIKey is PRYDSWXEGYHOPC-VXNVDRBHSA-N. The full InChI is InChI=1S/C10H10N2O4/c11-7-8(13)12-9(7)16-6-3-1-2-5(4-6)10(14)15/h1-4,7,9H,11H2,(H,12,13)(H,14,15)/t7-,9-/m1/s1.
What are the key properties of 3-[(2R,3S)-3-amino-4-oxoazetidin-2-yl]oxybenzoic acid?
3-[(2R,3S)-3-amino-4-oxoazetidin-2-yl]oxybenzoic acid has a molecular weight of 222.20 g/mol, XLogP of -0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3S)-3-amino-4-oxoazetidin-2-yl]oxybenzoic acid is sourced from PubChem (CID 57171190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).