2-[(2R,3R)-3-butyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpropyl)-4-oxoazetidin-1-yl]acetic acid

C18H32N2O5 — CID 101366360

IUPAC2-[(2R,3R)-3-butyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpropyl)-4-oxoazetidin-1-yl]acetic acid
SMILESCCCC[C@]1(NC(=O)OC(C)(C)C)C(=O)N(CC(=O)O)[C@@H]1CC(C)C
InChIInChI=1S/C18H32N2O5/c1-7-8-9-18(19-16(24)25-17(4,5)6)13(10-12(2)3)20(15(18)23)11-14(21)22/h12-13H,7-11H2,1-6H3,(H,19,24)(H,21,22)/t13-,18-/m1/s1
InChIKeyACDXVYSRPKZQBR-FZKQIMNGSA-N
MW356.46 g/mol
LogP2.78
Rot. Bonds8

About 2-[(2R,3R)-3-butyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpropyl)-4-oxoazetidin-1-yl]acetic acid

2-[(2R,3R)-3-butyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpropyl)-4-oxoazetidin-1-yl]acetic acid (PubChem CID 101366360) has the molecular formula C18H32N2O5 and a molecular weight of 356.46 g/mol. Its IUPAC name is 2-[(2R,3R)-3-butyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpropyl)-4-oxoazetidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R,3R)-3-butyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpropyl)-4-oxoazetidin-1-yl]acetic acid
PubChem CID101366360
Molecular FormulaC18H32N2O5
Molecular Weight356.46 g/mol
Exact Mass356.23
IUPAC Name2-[(2R,3R)-3-butyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpropyl)-4-oxoazetidin-1-yl]acetic acid
SMILESCCCC[C@]1(NC(=O)OC(C)(C)C)C(=O)N(CC(=O)O)[C@@H]1CC(C)C
InChIInChI=1S/C18H32N2O5/c1-7-8-9-18(19-16(24)25-17(4,5)6)13(10-12(2)3)20(15(18)23)11-14(21)22/h12-13H,7-11H2,1-6H3,(H,19,24)(H,21,22)/t13-,18-/m1/s1
InChIKeyACDXVYSRPKZQBR-FZKQIMNGSA-N
XLogP2.78
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-3-butyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpropyl)-4-oxoazetidin-1-yl]acetic acid?
The IUPAC name of 2-[(2R,3R)-3-butyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpropyl)-4-oxoazetidin-1-yl]acetic acid (CID 101366360) is 2-[(2R,3R)-3-butyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpropyl)-4-oxoazetidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(2R,3R)-3-butyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpropyl)-4-oxoazetidin-1-yl]acetic acid?
The canonical SMILES for 2-[(2R,3R)-3-butyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpropyl)-4-oxoazetidin-1-yl]acetic acid is CCCC[C@]1(NC(=O)OC(C)(C)C)C(=O)N(CC(=O)O)[C@@H]1CC(C)C.
What is the InChIKey of 2-[(2R,3R)-3-butyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpropyl)-4-oxoazetidin-1-yl]acetic acid?
The InChIKey is ACDXVYSRPKZQBR-FZKQIMNGSA-N. The full InChI is InChI=1S/C18H32N2O5/c1-7-8-9-18(19-16(24)25-17(4,5)6)13(10-12(2)3)20(15(18)23)11-14(21)22/h12-13H,7-11H2,1-6H3,(H,19,24)(H,21,22)/t13-,18-/m1/s1.
What are the key properties of 2-[(2R,3R)-3-butyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpropyl)-4-oxoazetidin-1-yl]acetic acid?
2-[(2R,3R)-3-butyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpropyl)-4-oxoazetidin-1-yl]acetic acid has a molecular weight of 356.46 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-3-butyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpropyl)-4-oxoazetidin-1-yl]acetic acid is sourced from PubChem (CID 101366360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).