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

C8H14N2O3 — CID 57165924

IUPAC2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)N1C[C@H](N)C1=O
InChIInChI=1S/C8H14N2O3/c1-4(2)6(8(12)13)10-3-5(9)7(10)11/h4-6H,3,9H2,1-2H3,(H,12,13)/t5-,6?/m0/s1
InChIKeyGUABTXNRYMWIEO-ZBHICJROSA-N
MW186.21 g/mol
LogP-0.73
Rot. Bonds3

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

2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid (PubChem CID 57165924) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid
PubChem CID57165924
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)N1C[C@H](N)C1=O
InChIInChI=1S/C8H14N2O3/c1-4(2)6(8(12)13)10-3-5(9)7(10)11/h4-6H,3,9H2,1-2H3,(H,12,13)/t5-,6?/m0/s1
InChIKeyGUABTXNRYMWIEO-ZBHICJROSA-N
XLogP-0.73
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid?
The IUPAC name of 2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid (CID 57165924) is 2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid?
The canonical SMILES for 2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid is CC(C)C(C(=O)O)N1C[C@H](N)C1=O.
What is the InChIKey of 2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid?
The InChIKey is GUABTXNRYMWIEO-ZBHICJROSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-4(2)6(8(12)13)10-3-5(9)7(10)11/h4-6H,3,9H2,1-2H3,(H,12,13)/t5-,6?/m0/s1.
What are the key properties of 2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid?
2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid has a molecular weight of 186.21 g/mol, XLogP of -0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid is sourced from PubChem (CID 57165924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).