2-[(2S,3S)-3-amino-2-methyl-4-oxoazetidine-1-carbonyl]oxyacetic acid

C7H10N2O5 — CID 45089619

IUPAC2-[(2S,3S)-3-amino-2-methyl-4-oxoazetidine-1-carbonyl]oxyacetic acid
SMILESC[C@H]1[C@H](N)C(=O)N1C(=O)OCC(=O)O
InChIInChI=1S/C7H10N2O5/c1-3-5(8)6(12)9(3)7(13)14-2-4(10)11/h3,5H,2,8H2,1H3,(H,10,11)/t3-,5-/m0/s1
InChIKeyGXWVJIKDLURNMD-UCORVYFPSA-N
MW202.17 g/mol
LogP-1.23
Rot. Bonds2

About 2-[(2S,3S)-3-amino-2-methyl-4-oxoazetidine-1-carbonyl]oxyacetic acid

2-[(2S,3S)-3-amino-2-methyl-4-oxoazetidine-1-carbonyl]oxyacetic acid (PubChem CID 45089619) has the molecular formula C7H10N2O5 and a molecular weight of 202.17 g/mol. Its IUPAC name is 2-[(2S,3S)-3-amino-2-methyl-4-oxoazetidine-1-carbonyl]oxyacetic acid.

Molecular Properties

Compound Name2-[(2S,3S)-3-amino-2-methyl-4-oxoazetidine-1-carbonyl]oxyacetic acid
PubChem CID45089619
Molecular FormulaC7H10N2O5
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name2-[(2S,3S)-3-amino-2-methyl-4-oxoazetidine-1-carbonyl]oxyacetic acid
SMILESC[C@H]1[C@H](N)C(=O)N1C(=O)OCC(=O)O
InChIInChI=1S/C7H10N2O5/c1-3-5(8)6(12)9(3)7(13)14-2-4(10)11/h3,5H,2,8H2,1H3,(H,10,11)/t3-,5-/m0/s1
InChIKeyGXWVJIKDLURNMD-UCORVYFPSA-N
XLogP-1.23
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-3-amino-2-methyl-4-oxoazetidin-1-yl]oxyacetic acid;2,2,2-trifluoroacetic acid
CID 131716454
(Z)-3-(acetyloxymethyl)-2-[(2R,3S)-3-amino-2-methyl-4-oxoazetidin-1-yl]-4-sulfanylbut-2-enoic acid
CID 145272045
2-[(2S,3S)-1-ethoxycarbonyl-3-ethyl-4-oxoazetidin-2-yl]oxyacetic acid
CID 15934674
2-[2-[(2R,3R)-3-amino-2-(chloromethyl)-4-oxoazetidin-1-yl]ethanethioyl]oxyacetic acid
CID 88794169
(2S,3S)-3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid
CID 159927921
bis(2-acetyloxyacetic acid);palladium
CID 156697217
ethyl (1R,4S)-3-oxo-2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 14282866
benzyl 2-[(2S,3S)-3-amino-2-methyl-4-oxoazetidin-1-yl]oxyacetate;2,2,2-trifluoroacetic acid
CID 131716455
2-[(2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxyacetic acid
CID 18640037
(3S,4S)-3-amino-4-methyl-1-(2H-tetrazol-5-yl)azetidin-2-one
CID 13273833
tert-butyl (2R,3R)-2-methyl-4-oxo-3-(trideuteriomethyl)azetidine-1-carboxylate
CID 58618366
2-[ethyl(methyl)carbamoyl]oxyacetic acid
CID 142231802

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3S)-3-amino-2-methyl-4-oxoazetidine-1-carbonyl]oxyacetic acid?
The IUPAC name of 2-[(2S,3S)-3-amino-2-methyl-4-oxoazetidine-1-carbonyl]oxyacetic acid (CID 45089619) is 2-[(2S,3S)-3-amino-2-methyl-4-oxoazetidine-1-carbonyl]oxyacetic acid.
What is the SMILES notation for 2-[(2S,3S)-3-amino-2-methyl-4-oxoazetidine-1-carbonyl]oxyacetic acid?
The canonical SMILES for 2-[(2S,3S)-3-amino-2-methyl-4-oxoazetidine-1-carbonyl]oxyacetic acid is C[C@H]1[C@H](N)C(=O)N1C(=O)OCC(=O)O.
What is the InChIKey of 2-[(2S,3S)-3-amino-2-methyl-4-oxoazetidine-1-carbonyl]oxyacetic acid?
The InChIKey is GXWVJIKDLURNMD-UCORVYFPSA-N. The full InChI is InChI=1S/C7H10N2O5/c1-3-5(8)6(12)9(3)7(13)14-2-4(10)11/h3,5H,2,8H2,1H3,(H,10,11)/t3-,5-/m0/s1.
What are the key properties of 2-[(2S,3S)-3-amino-2-methyl-4-oxoazetidine-1-carbonyl]oxyacetic acid?
2-[(2S,3S)-3-amino-2-methyl-4-oxoazetidine-1-carbonyl]oxyacetic acid has a molecular weight of 202.17 g/mol, XLogP of -1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3S)-3-amino-2-methyl-4-oxoazetidine-1-carbonyl]oxyacetic acid is sourced from PubChem (CID 45089619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).