cesium 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C7H12CsNO4 — CID 23698633

IUPACcesium 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC(C)(C)OC(=O)NCC(=O)[O-].[Cs+]
InChIInChI=1S/C7H13NO4.Cs/c1-7(2,3)12-6(11)8-4-5(9)10;/h4H2,1-3H3,(H,8,11)(H,9,10);/q;+1/p-1
InChIKeyRICFWCXESOWLSS-UHFFFAOYSA-M
MW307.08 g/mol
LogP-3.73
Rot. Bonds2

About cesium 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

cesium 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 23698633) has the molecular formula C7H12CsNO4 and a molecular weight of 307.08 g/mol. Its IUPAC name is cesium 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

Compound Namecesium 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
PubChem CID23698633
Molecular FormulaC7H12CsNO4
Molecular Weight307.08 g/mol
Exact Mass306.98
IUPAC Namecesium 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC(C)(C)OC(=O)NCC(=O)[O-].[Cs+]
InChIInChI=1S/C7H13NO4.Cs/c1-7(2,3)12-6(11)8-4-5(9)10;/h4H2,1-3H3,(H,8,11)(H,9,10);/q;+1/p-1
InChIKeyRICFWCXESOWLSS-UHFFFAOYSA-M
XLogP-3.73
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.08
LogP ≤ 5-3.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane
CID 144755686
tert-butyl N-[3-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]carbamate
CID 89001171
tert-butyl N-(3,3,3-trifluoro-2-oxopropyl)carbamate
CID 129451512
ethane-1,2-diol;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 175289352
tert-butyl N-[2-(methylamino)-2-oxoethyl]carbamate;hydrochloride
CID 91827965
tert-butyl N-(3-bromo-2-oxopropyl)carbamate
CID 53439192
tert-butyl N-(bromomethyl)carbamate
CID 20614913
2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetate
CID 7018767
tert-butyl N-(3,3-difluoro-2-oxopropyl)carbamate
CID 105462603
tert-butyl N-[2-(methylaminomethylamino)-2-oxoethyl]carbamate
CID 134487192
2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 22996657
tert-butyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 126589495

Frequently Asked Questions

What is the IUPAC name of cesium 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The IUPAC name of cesium 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 23698633) is cesium 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
What is the SMILES notation for cesium 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The canonical SMILES for cesium 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is CC(C)(C)OC(=O)NCC(=O)[O-].[Cs+].
What is the InChIKey of cesium 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The InChIKey is RICFWCXESOWLSS-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H13NO4.Cs/c1-7(2,3)12-6(11)8-4-5(9)10;/h4H2,1-3H3,(H,8,11)(H,9,10);/q;+1/p-1.
What are the key properties of cesium 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
cesium 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 307.08 g/mol, XLogP of -3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cesium 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 23698633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).