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

C9H16N2O3 — CID 67675825

IUPAC(2R)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylpentanoic acid
SMILESCCC(C)[C@H](C(=O)O)N1C[C@H](N)C1=O
InChIInChI=1S/C9H16N2O3/c1-3-5(2)7(9(13)14)11-4-6(10)8(11)12/h5-7H,3-4,10H2,1-2H3,(H,13,14)/t5?,6-,7+/m0/s1
InChIKeyJWUZUHZIOBRTHW-BOJSHJERSA-N
MW200.24 g/mol
LogP-0.34
Rot. Bonds4

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

(2R)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylpentanoic acid (PubChem CID 67675825) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is (2R)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylpentanoic acid
PubChem CID67675825
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name(2R)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylpentanoic acid
SMILESCCC(C)[C@H](C(=O)O)N1C[C@H](N)C1=O
InChIInChI=1S/C9H16N2O3/c1-3-5(2)7(9(13)14)11-4-6(10)8(11)12/h5-7H,3-4,10H2,1-2H3,(H,13,14)/t5?,6-,7+/m0/s1
InChIKeyJWUZUHZIOBRTHW-BOJSHJERSA-N
XLogP-0.34
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylpentanoic acid?
The IUPAC name of (2R)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylpentanoic acid (CID 67675825) is (2R)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylpentanoic acid is CCC(C)[C@H](C(=O)O)N1C[C@H](N)C1=O.
What is the InChIKey of (2R)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylpentanoic acid?
The InChIKey is JWUZUHZIOBRTHW-BOJSHJERSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-3-5(2)7(9(13)14)11-4-6(10)8(11)12/h5-7H,3-4,10H2,1-2H3,(H,13,14)/t5?,6-,7+/m0/s1.
What are the key properties of (2R)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylpentanoic acid?
(2R)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylpentanoic acid has a molecular weight of 200.24 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylpentanoic acid is sourced from PubChem (CID 67675825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).