methyl 2-[(3R)-3-amino-2-oxoazetidin-1-yl]acetate

C6H10N2O3 — CID 10080631

IUPACmethyl 2-[(3R)-3-amino-2-oxoazetidin-1-yl]acetate
SMILESCOC(=O)CN1C[C@@H](N)C1=O
InChIInChI=1S/C6H10N2O3/c1-11-5(9)3-8-2-4(7)6(8)10/h4H,2-3,7H2,1H3/t4-/m1/s1
InChIKeyHFGQPVHWLJUSCD-SCSAIBSYSA-N
MW158.16 g/mol
LogP-1.67
Rot. Bonds2

About methyl 2-[(3R)-3-amino-2-oxoazetidin-1-yl]acetate

methyl 2-[(3R)-3-amino-2-oxoazetidin-1-yl]acetate (PubChem CID 10080631) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is methyl 2-[(3R)-3-amino-2-oxoazetidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3R)-3-amino-2-oxoazetidin-1-yl]acetate
PubChem CID10080631
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Namemethyl 2-[(3R)-3-amino-2-oxoazetidin-1-yl]acetate
SMILESCOC(=O)CN1C[C@@H](N)C1=O
InChIInChI=1S/C6H10N2O3/c1-11-5(9)3-8-2-4(7)6(8)10/h4H,2-3,7H2,1H3/t4-/m1/s1
InChIKeyHFGQPVHWLJUSCD-SCSAIBSYSA-N
XLogP-1.67
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-1.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(3R)-3-amino-2-oxoazetidin-1-yl]acetate 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 methyl 2-[(3R)-3-amino-2-oxoazetidin-1-yl]acetate?
The IUPAC name of methyl 2-[(3R)-3-amino-2-oxoazetidin-1-yl]acetate (CID 10080631) is methyl 2-[(3R)-3-amino-2-oxoazetidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[(3R)-3-amino-2-oxoazetidin-1-yl]acetate?
The canonical SMILES for methyl 2-[(3R)-3-amino-2-oxoazetidin-1-yl]acetate is COC(=O)CN1C[C@@H](N)C1=O.
What is the InChIKey of methyl 2-[(3R)-3-amino-2-oxoazetidin-1-yl]acetate?
The InChIKey is HFGQPVHWLJUSCD-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-11-5(9)3-8-2-4(7)6(8)10/h4H,2-3,7H2,1H3/t4-/m1/s1.
What are the key properties of methyl 2-[(3R)-3-amino-2-oxoazetidin-1-yl]acetate?
methyl 2-[(3R)-3-amino-2-oxoazetidin-1-yl]acetate has a molecular weight of 158.16 g/mol, XLogP of -1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3R)-3-amino-2-oxoazetidin-1-yl]acetate is sourced from PubChem (CID 10080631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).