(2R)-2-amino-2-(2,4-dioxoazetidin-1-yl)propanoic acid

C6H8N2O4 — CID 18601096

IUPAC(2R)-2-amino-2-(2,4-dioxoazetidin-1-yl)propanoic acid
SMILESC[C@](N)(C(=O)O)N1C(=O)CC1=O
InChIInChI=1S/C6H8N2O4/c1-6(7,5(11)12)8-3(9)2-4(8)10/h2,7H2,1H3,(H,11,12)/t6-/m1/s1
InChIKeyJRIIZHQWJVXFLP-ZCFIWIBFSA-N
MW172.14 g/mol
LogP-1.50
Rot. Bonds2

About (2R)-2-amino-2-(2,4-dioxoazetidin-1-yl)propanoic acid

(2R)-2-amino-2-(2,4-dioxoazetidin-1-yl)propanoic acid (PubChem CID 18601096) has the molecular formula C6H8N2O4 and a molecular weight of 172.14 g/mol. Its IUPAC name is (2R)-2-amino-2-(2,4-dioxoazetidin-1-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(2,4-dioxoazetidin-1-yl)propanoic acid
PubChem CID18601096
Molecular FormulaC6H8N2O4
Molecular Weight172.14 g/mol
Exact Mass172.05
IUPAC Name(2R)-2-amino-2-(2,4-dioxoazetidin-1-yl)propanoic acid
SMILESC[C@](N)(C(=O)O)N1C(=O)CC1=O
InChIInChI=1S/C6H8N2O4/c1-6(7,5(11)12)8-3(9)2-4(8)10/h2,7H2,1H3,(H,11,12)/t6-/m1/s1
InChIKeyJRIIZHQWJVXFLP-ZCFIWIBFSA-N
XLogP-1.50
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-1.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2,4-dioxoazetidin-1-yl)propanoic acid?
The IUPAC name of (2R)-2-amino-2-(2,4-dioxoazetidin-1-yl)propanoic acid (CID 18601096) is (2R)-2-amino-2-(2,4-dioxoazetidin-1-yl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-2-(2,4-dioxoazetidin-1-yl)propanoic acid?
The canonical SMILES for (2R)-2-amino-2-(2,4-dioxoazetidin-1-yl)propanoic acid is C[C@](N)(C(=O)O)N1C(=O)CC1=O.
What is the InChIKey of (2R)-2-amino-2-(2,4-dioxoazetidin-1-yl)propanoic acid?
The InChIKey is JRIIZHQWJVXFLP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H8N2O4/c1-6(7,5(11)12)8-3(9)2-4(8)10/h2,7H2,1H3,(H,11,12)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-2-(2,4-dioxoazetidin-1-yl)propanoic acid?
(2R)-2-amino-2-(2,4-dioxoazetidin-1-yl)propanoic acid has a molecular weight of 172.14 g/mol, XLogP of -1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(2,4-dioxoazetidin-1-yl)propanoic acid is sourced from PubChem (CID 18601096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).