tert-butyl 2-(chloroamino)-2-methylpropanoate

C8H16ClNO2 — CID 88577457

IUPACtert-butyl 2-(chloroamino)-2-methylpropanoate
SMILESCC(C)(C)OC(=O)C(C)(C)NCl
InChIInChI=1S/C8H16ClNO2/c1-7(2,3)12-6(11)8(4,5)10-9/h10H,1-5H3
InChIKeyIKZRKQSFEMEHIY-UHFFFAOYSA-N
MW193.67 g/mol
LogP1.85
Rot. Bonds2

About tert-butyl 2-(chloroamino)-2-methylpropanoate

tert-butyl 2-(chloroamino)-2-methylpropanoate (PubChem CID 88577457) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is tert-butyl 2-(chloroamino)-2-methylpropanoate.

Molecular Properties

Compound Nametert-butyl 2-(chloroamino)-2-methylpropanoate
PubChem CID88577457
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Nametert-butyl 2-(chloroamino)-2-methylpropanoate
SMILESCC(C)(C)OC(=O)C(C)(C)NCl
InChIInChI=1S/C8H16ClNO2/c1-7(2,3)12-6(11)8(4,5)10-9/h10H,1-5H3
InChIKeyIKZRKQSFEMEHIY-UHFFFAOYSA-N
XLogP1.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-methyl-2-(methylamino)propanoate
CID 20649466
tert-butyl 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoate
CID 15689538
tert-butyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 15613838
tert-butyl (2R)-2-amino-2-hydroxypropanoate
CID 88686968
tert-butyl 2-methyl-2-trimethylsilylpropanoate
CID 23650779
methyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15853247
tert-butyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate
CID 71672018
tert-butyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate
CID 71673045
tert-butyl 2-amino-2,2-diethoxyacetate
CID 87520437
tert-butyl 2-(chloromethyl)-2-methylbutanoate
CID 158378960
tert-butyl (2S)-2-amino-2-methyl-3-(methylamino)-3-oxopropanoate
CID 57038729
3-methyl-4-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
CID 174941723

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(chloroamino)-2-methylpropanoate?
The IUPAC name of tert-butyl 2-(chloroamino)-2-methylpropanoate (CID 88577457) is tert-butyl 2-(chloroamino)-2-methylpropanoate.
What is the SMILES notation for tert-butyl 2-(chloroamino)-2-methylpropanoate?
The canonical SMILES for tert-butyl 2-(chloroamino)-2-methylpropanoate is CC(C)(C)OC(=O)C(C)(C)NCl.
What is the InChIKey of tert-butyl 2-(chloroamino)-2-methylpropanoate?
The InChIKey is IKZRKQSFEMEHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO2/c1-7(2,3)12-6(11)8(4,5)10-9/h10H,1-5H3.
What are the key properties of tert-butyl 2-(chloroamino)-2-methylpropanoate?
tert-butyl 2-(chloroamino)-2-methylpropanoate has a molecular weight of 193.67 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(chloroamino)-2-methylpropanoate is sourced from PubChem (CID 88577457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).