tert-butyl 2-[methyl-[(2-oxo-1,3-oxazolidin-3-yl)sulfonyl]amino]acetate

C10H18N2O6S — CID 130470232

IUPACtert-butyl 2-[methyl-[(2-oxo-1,3-oxazolidin-3-yl)sulfonyl]amino]acetate
SMILESCN(CC(=O)OC(C)(C)C)S(=O)(=O)N1CCOC1=O
InChIInChI=1S/C10H18N2O6S/c1-10(2,3)18-8(13)7-11(4)19(15,16)12-5-6-17-9(12)14/h5-7H2,1-4H3
InChIKeyVHPVOEIENULPJN-UHFFFAOYSA-N
MW294.33 g/mol
LogP-0.04
Rot. Bonds4

About tert-butyl 2-[methyl-[(2-oxo-1,3-oxazolidin-3-yl)sulfonyl]amino]acetate

tert-butyl 2-[methyl-[(2-oxo-1,3-oxazolidin-3-yl)sulfonyl]amino]acetate (PubChem CID 130470232) has the molecular formula C10H18N2O6S and a molecular weight of 294.33 g/mol. Its IUPAC name is tert-butyl 2-[methyl-[(2-oxo-1,3-oxazolidin-3-yl)sulfonyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[methyl-[(2-oxo-1,3-oxazolidin-3-yl)sulfonyl]amino]acetate
PubChem CID130470232
Molecular FormulaC10H18N2O6S
Molecular Weight294.33 g/mol
Exact Mass294.09
IUPAC Nametert-butyl 2-[methyl-[(2-oxo-1,3-oxazolidin-3-yl)sulfonyl]amino]acetate
SMILESCN(CC(=O)OC(C)(C)C)S(=O)(=O)N1CCOC1=O
InChIInChI=1S/C10H18N2O6S/c1-10(2,3)18-8(13)7-11(4)19(15,16)12-5-6-17-9(12)14/h5-7H2,1-4H3
InChIKeyVHPVOEIENULPJN-UHFFFAOYSA-N
XLogP-0.04
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-acetyl-N-(2-oxo-1,3-oxazolidin-3-yl)carbamate
CID 18174833
tert-butyl 2-[methyl(naphthalen-1-ylsulfonyl)amino]acetate
CID 3787664
cis-tert-butyl (1S,2S)-2-methyl-1-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylamino]-3-phenylcyclopropane-1-carboxylate
CID 59692324
tert-butyl 2-[methyl(methylsulfonylmethyl)amino]acetate
CID 146649341
2-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]-[(2-oxo-1,3-oxazolidin-3-yl)sulfonyl]amino]acetic acid
CID 174930312
tert-butyl 3-(2-oxo-1,3-oxazolidine-3-carbonyl)hex-5-enoate;tert-butyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
CID 158150914
2-[1-(4-methoxyphenyl)propan-2-yl-[(2-oxo-1,3-oxazolidin-3-yl)sulfonyl]amino]acetic acid
CID 174930313
tert-butyl 2-[amino(methyl)amino]acetate
CID 11805056
2-oxo-1,3-oxazolidine-3-sulfonyl fluoride
CID 130225489
methyl 2-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylmethyl]benzoate
CID 14988081
tert-butyl 2-[2-morpholin-4-ylethyl-(4-phenylsulfanylphenyl)sulfonylamino]acetate
CID 54351681
tert-butyl 2-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl-[2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]acetate
CID 10556782

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[methyl-[(2-oxo-1,3-oxazolidin-3-yl)sulfonyl]amino]acetate?
The IUPAC name of tert-butyl 2-[methyl-[(2-oxo-1,3-oxazolidin-3-yl)sulfonyl]amino]acetate (CID 130470232) is tert-butyl 2-[methyl-[(2-oxo-1,3-oxazolidin-3-yl)sulfonyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[methyl-[(2-oxo-1,3-oxazolidin-3-yl)sulfonyl]amino]acetate?
The canonical SMILES for tert-butyl 2-[methyl-[(2-oxo-1,3-oxazolidin-3-yl)sulfonyl]amino]acetate is CN(CC(=O)OC(C)(C)C)S(=O)(=O)N1CCOC1=O.
What is the InChIKey of tert-butyl 2-[methyl-[(2-oxo-1,3-oxazolidin-3-yl)sulfonyl]amino]acetate?
The InChIKey is VHPVOEIENULPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O6S/c1-10(2,3)18-8(13)7-11(4)19(15,16)12-5-6-17-9(12)14/h5-7H2,1-4H3.
What are the key properties of tert-butyl 2-[methyl-[(2-oxo-1,3-oxazolidin-3-yl)sulfonyl]amino]acetate?
tert-butyl 2-[methyl-[(2-oxo-1,3-oxazolidin-3-yl)sulfonyl]amino]acetate has a molecular weight of 294.33 g/mol, XLogP of -0.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[methyl-[(2-oxo-1,3-oxazolidin-3-yl)sulfonyl]amino]acetate is sourced from PubChem (CID 130470232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).