potassium 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

C8H14KNO4 — CID 140930688

IUPACpotassium 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
SMILESCN(CC(=O)[O-])C(=O)OC(C)(C)C.[K+]
InChIInChI=1S/C8H15NO4.K/c1-8(2,3)13-7(12)9(4)5-6(10)11;/h5H2,1-4H3,(H,10,11);/q;+1/p-1
InChIKeyIFHLMUQASZTBIN-UHFFFAOYSA-M
MW227.30 g/mol
LogP-3.39
Rot. Bonds2

About potassium 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

potassium 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (PubChem CID 140930688) has the molecular formula C8H14KNO4 and a molecular weight of 227.30 g/mol. Its IUPAC name is potassium 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate.

Molecular Properties

Compound Namepotassium 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
PubChem CID140930688
Molecular FormulaC8H14KNO4
Molecular Weight227.30 g/mol
Exact Mass227.06
IUPAC Namepotassium 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
SMILESCN(CC(=O)[O-])C(=O)OC(C)(C)C.[K+]
InChIInChI=1S/C8H15NO4.K/c1-8(2,3)13-7(12)9(4)5-6(10)11;/h5H2,1-4H3,(H,10,11);/q;+1/p-1
InChIKeyIFHLMUQASZTBIN-UHFFFAOYSA-M
XLogP-3.39
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 5-3.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 6991933
tert-butyl N-(2-hydroxy-3-methylbut-2-enyl)-N-methylcarbamate
CID 91462214
tert-butyl N-(2-hydrazinyl-2-oxoethyl)-N-methylcarbamate
CID 56698929
methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;propane
CID 142813889
tert-butyl N-methyl-N-[3-(methylamino)-2-oxopropyl]carbamate
CID 84681796
tert-butyl N-methyl-N-(3-propylhexyl)carbamate
CID 139566665
tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate
CID 22485464
magnesium;tert-butyl N-ethyl-N-methylcarbamate;bromide
CID 166521471
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium
CID 7006641
tert-butyl N-(2-amino-2-iminoethyl)-N-methylcarbamate;hydrochloride
CID 126812317
dimethyl 2-[1-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylidene]propanedioate
CID 54691513
tert-butyl N-[4-(diethylamino)-2-oxobut-3-enyl]-N-methylcarbamate
CID 162367936

Frequently Asked Questions

What is the IUPAC name of potassium 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The IUPAC name of potassium 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (CID 140930688) is potassium 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate.
What is the SMILES notation for potassium 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The canonical SMILES for potassium 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is CN(CC(=O)[O-])C(=O)OC(C)(C)C.[K+].
What is the InChIKey of potassium 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The InChIKey is IFHLMUQASZTBIN-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H15NO4.K/c1-8(2,3)13-7(12)9(4)5-6(10)11;/h5H2,1-4H3,(H,10,11);/q;+1/p-1.
What are the key properties of potassium 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
potassium 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate has a molecular weight of 227.30 g/mol, XLogP of -3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is sourced from PubChem (CID 140930688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).