(2S)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]propanoic acid

C6H10N2O3 — CID 11435079

IUPAC(2S)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]propanoic acid
SMILESC[C@@H](C(=O)O)N1C[C@H](N)C1=O
InChIInChI=1S/C6H10N2O3/c1-3(6(10)11)8-2-4(7)5(8)9/h3-4H,2,7H2,1H3,(H,10,11)/t3-,4-/m0/s1
InChIKeyIXLHWWDVVDPLAJ-IMJSIDKUSA-N
MW158.16 g/mol
LogP-1.37
Rot. Bonds2

About (2S)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]propanoic acid

(2S)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]propanoic acid (PubChem CID 11435079) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is (2S)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]propanoic acid
PubChem CID11435079
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name(2S)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]propanoic acid
SMILESC[C@@H](C(=O)O)N1C[C@H](N)C1=O
InChIInChI=1S/C6H10N2O3/c1-3(6(10)11)8-2-4(7)5(8)9/h3-4H,2,7H2,1H3,(H,10,11)/t3-,4-/m0/s1
InChIKeyIXLHWWDVVDPLAJ-IMJSIDKUSA-N
XLogP-1.37
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]propanoic acid?
The IUPAC name of (2S)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]propanoic acid (CID 11435079) is (2S)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]propanoic acid.
What is the SMILES notation for (2S)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]propanoic acid?
The canonical SMILES for (2S)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]propanoic acid is C[C@@H](C(=O)O)N1C[C@H](N)C1=O.
What is the InChIKey of (2S)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]propanoic acid?
The InChIKey is IXLHWWDVVDPLAJ-IMJSIDKUSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-3(6(10)11)8-2-4(7)5(8)9/h3-4H,2,7H2,1H3,(H,10,11)/t3-,4-/m0/s1.
What are the key properties of (2S)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]propanoic acid?
(2S)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]propanoic acid has a molecular weight of 158.16 g/mol, XLogP of -1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]propanoic acid is sourced from PubChem (CID 11435079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).