2-[(2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxyacetic acid

C11H18N2O6 — CID 18640037

IUPAC2-[(2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxyacetic acid
SMILESC[C@H]1[C@H](NC(=O)OC(C)(C)C)C(=O)N1OCC(=O)O
InChIInChI=1S/C11H18N2O6/c1-6-8(12-10(17)19-11(2,3)4)9(16)13(6)18-5-7(14)15/h6,8H,5H2,1-4H3,(H,12,17)(H,14,15)/t6-,8-/m0/s1
InChIKeyHZBZDWBPMASEEU-XPUUQOCRSA-N
MW274.27 g/mol
LogP0.13
Rot. Bonds4

About 2-[(2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxyacetic acid

2-[(2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxyacetic acid (PubChem CID 18640037) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-[(2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[(2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxyacetic acid
PubChem CID18640037
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name2-[(2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxyacetic acid
SMILESC[C@H]1[C@H](NC(=O)OC(C)(C)C)C(=O)N1OCC(=O)O
InChIInChI=1S/C11H18N2O6/c1-6-8(12-10(17)19-11(2,3)4)9(16)13(6)18-5-7(14)15/h6,8H,5H2,1-4H3,(H,12,17)(H,14,15)/t6-,8-/m0/s1
InChIKeyHZBZDWBPMASEEU-XPUUQOCRSA-N
XLogP0.13
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxyacetic acid with MolForge

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Related Compounds

(4-nitrophenyl)methyl 2-[(2R,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxyacetate
CID 13489005
tert-butyl N-(2-methyl-4-oxo-1-prop-2-enylazetidin-3-yl)carbamate
CID 73110709
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-1-phenylmethoxyazetidine-2-carboxylate
CID 14988526
methoxy-[(2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]phosphinate
CID 131713942
2-[(3R,4S)-3-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxazetidin-2-yl]oxyacetic acid
CID 57178383
tert-butyl N-[(2R,3S)-2-ethyl-1-formyl-4-oxoazetidin-3-yl]carbamate
CID 131076113
2-[(2R,3R)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-methyl-4-oxoazetidin-1-yl]oxyacetic acid
CID 88514651
(4-nitrophenyl)methyl 2-[(2R,3S)-2-carbamoyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxyacetate
CID 70417354
2-[carboxymethyl-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoazetidine-1-carbonyl]amino]acetic acid
CID 18601852
(2S,5R,6R)-3,3-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 57175698
tert-butyl N-[(6R,7R)-8-oxo-5-oxa-1-azabicyclo[4.2.0]octan-7-yl]carbamate
CID 130985784
tert-butyl 2-[2-[(2S,3S)-3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-methyl-4-oxoazetidin-1-yl]oxyacetyl]oxyacetate
CID 5492073

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxyacetic acid?
The IUPAC name of 2-[(2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxyacetic acid (CID 18640037) is 2-[(2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxyacetic acid.
What is the SMILES notation for 2-[(2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxyacetic acid?
The canonical SMILES for 2-[(2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxyacetic acid is C[C@H]1[C@H](NC(=O)OC(C)(C)C)C(=O)N1OCC(=O)O.
What is the InChIKey of 2-[(2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxyacetic acid?
The InChIKey is HZBZDWBPMASEEU-XPUUQOCRSA-N. The full InChI is InChI=1S/C11H18N2O6/c1-6-8(12-10(17)19-11(2,3)4)9(16)13(6)18-5-7(14)15/h6,8H,5H2,1-4H3,(H,12,17)(H,14,15)/t6-,8-/m0/s1.
What are the key properties of 2-[(2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxyacetic acid?
2-[(2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxyacetic acid has a molecular weight of 274.27 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxyacetic acid is sourced from PubChem (CID 18640037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).