sodium (2-methylpropan-2-yl)oxycarbonyl-phenylazanide

C11H14NNaO2 — CID 23704778

IUPACsodium (2-methylpropan-2-yl)oxycarbonyl-phenylazanide
SMILESCC(C)(C)OC(=O)[N-]c1ccccc1.[Na+]
InChIInChI=1S/C11H15NO2.Na/c1-11(2,3)14-10(13)12-9-7-5-4-6-8-9;/h4-8H,1-3H3,(H,12,13);/q;+1/p-1
InChIKeyJGUAPMCAIZZLDN-UHFFFAOYSA-M
MW215.23 g/mol
LogP0.63
Rot. Bonds1

About sodium (2-methylpropan-2-yl)oxycarbonyl-phenylazanide

sodium (2-methylpropan-2-yl)oxycarbonyl-phenylazanide (PubChem CID 23704778) has the molecular formula C11H14NNaO2 and a molecular weight of 215.23 g/mol. Its IUPAC name is sodium (2-methylpropan-2-yl)oxycarbonyl-phenylazanide.

Molecular Properties

Compound Namesodium (2-methylpropan-2-yl)oxycarbonyl-phenylazanide
PubChem CID23704778
Molecular FormulaC11H14NNaO2
Molecular Weight215.23 g/mol
Exact Mass215.09
IUPAC Namesodium (2-methylpropan-2-yl)oxycarbonyl-phenylazanide
SMILESCC(C)(C)OC(=O)[N-]c1ccccc1.[Na+]
InChIInChI=1S/C11H15NO2.Na/c1-11(2,3)14-10(13)12-9-7-5-4-6-8-9;/h4-8H,1-3H3,(H,12,13);/q;+1/p-1
InChIKeyJGUAPMCAIZZLDN-UHFFFAOYSA-M
XLogP0.63
TPSA40.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 162139404
CID 162139404
benzoic acid;tert-butyl acetate
CID 143820890
tert-butyl 2,2,2-triphenylacetate;hydrogen peroxide
CID 174664507
ditert-butyl 2-phenyliodanuidylpropanedioate
CID 102037853
[1,4-bis[(2-methylpropan-2-yl)oxy]-1,4-dioxobut-2-en-2-yl]-triphenylphosphanium
CID 139231201
tert-butyl 3-methyl-2-oxo-3-phenylbutanoate
CID 158932795
tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate
CID 101134565
tert-butyl 2-methyl-4,4,4-triphenylbut-2-enoate
CID 174508646
benzoic acid;tert-butyl 2-amino-2-methylpropanoate
CID 175229994
phenyl (NE)-N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate
CID 15073140
tert-butyl acetate;trifluoromethylbenzene
CID 135377327
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485

Frequently Asked Questions

What is the IUPAC name of sodium (2-methylpropan-2-yl)oxycarbonyl-phenylazanide?
The IUPAC name of sodium (2-methylpropan-2-yl)oxycarbonyl-phenylazanide (CID 23704778) is sodium (2-methylpropan-2-yl)oxycarbonyl-phenylazanide.
What is the SMILES notation for sodium (2-methylpropan-2-yl)oxycarbonyl-phenylazanide?
The canonical SMILES for sodium (2-methylpropan-2-yl)oxycarbonyl-phenylazanide is CC(C)(C)OC(=O)[N-]c1ccccc1.[Na+].
What is the InChIKey of sodium (2-methylpropan-2-yl)oxycarbonyl-phenylazanide?
The InChIKey is JGUAPMCAIZZLDN-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H15NO2.Na/c1-11(2,3)14-10(13)12-9-7-5-4-6-8-9;/h4-8H,1-3H3,(H,12,13);/q;+1/p-1.
What are the key properties of sodium (2-methylpropan-2-yl)oxycarbonyl-phenylazanide?
sodium (2-methylpropan-2-yl)oxycarbonyl-phenylazanide has a molecular weight of 215.23 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2-methylpropan-2-yl)oxycarbonyl-phenylazanide is sourced from PubChem (CID 23704778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).