azane;(tert-butylamino) 2,2-dimethylpropanoate

C9H22N2O2 — CID 174934369

IUPACazane;(tert-butylamino) 2,2-dimethylpropanoate
SMILESCC(C)(C)NOC(=O)C(C)(C)C.N
InChIInChI=1S/C9H19NO2.H3N/c1-8(2,3)7(11)12-10-9(4,5)6;/h10H,1-6H3;1H3
InChIKeyIXKRDOXISZBGMJ-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.04
Rot. Bonds1

About azane;(tert-butylamino) 2,2-dimethylpropanoate

azane;(tert-butylamino) 2,2-dimethylpropanoate (PubChem CID 174934369) has the molecular formula C9H22N2O2 and a molecular weight of 190.29 g/mol. Its IUPAC name is azane;(tert-butylamino) 2,2-dimethylpropanoate.

Molecular Properties

Compound Nameazane;(tert-butylamino) 2,2-dimethylpropanoate
PubChem CID174934369
Molecular FormulaC9H22N2O2
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC Nameazane;(tert-butylamino) 2,2-dimethylpropanoate
SMILESCC(C)(C)NOC(=O)C(C)(C)C.N
InChIInChI=1S/C9H19NO2.H3N/c1-8(2,3)7(11)12-10-9(4,5)6;/h10H,1-6H3;1H3
InChIKeyIXKRDOXISZBGMJ-UHFFFAOYSA-N
XLogP2.04
TPSA73.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-tert-butylhydrazinyl) 2,2-dimethylpropanoate
CID 88662730
azane;(2-hydroxyethylamino) 2,2-dimethylpropanoate
CID 174766160
O-(tert-butylamino) 2,2-dimethylpropanethioate
CID 11275507
(2,2-difluoroethylamino) 2,2-dimethylpropanoate
CID 174942642
cyano 2,2-dimethylpropanoate
CID 141255582
(carbamoylamino)methyl 2,2-dimethylpropanoate
CID 147206846
[(4-methylcyclohexyl)amino] 2,2-dimethylpropanoate
CID 87830167
(cyclohexylamino) 2,2-dimethylpropanoate;hydrate
CID 174795169
(butoxycarbonylamino) 2,2-dimethylpropanoate
CID 174862804
(6-aminohexylamino) 2,2-dimethylpropanoate
CID 58975914
methyl 2-tert-butyl-2,3,3-trimethylbutanoate
CID 12696477
2,2-dimethylpropanoyloxysulfanyl 2,2-dimethylpropanoate
CID 54093777

Frequently Asked Questions

What is the IUPAC name of azane;(tert-butylamino) 2,2-dimethylpropanoate?
The IUPAC name of azane;(tert-butylamino) 2,2-dimethylpropanoate (CID 174934369) is azane;(tert-butylamino) 2,2-dimethylpropanoate.
What is the SMILES notation for azane;(tert-butylamino) 2,2-dimethylpropanoate?
The canonical SMILES for azane;(tert-butylamino) 2,2-dimethylpropanoate is CC(C)(C)NOC(=O)C(C)(C)C.N.
What is the InChIKey of azane;(tert-butylamino) 2,2-dimethylpropanoate?
The InChIKey is IXKRDOXISZBGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.H3N/c1-8(2,3)7(11)12-10-9(4,5)6;/h10H,1-6H3;1H3.
What are the key properties of azane;(tert-butylamino) 2,2-dimethylpropanoate?
azane;(tert-butylamino) 2,2-dimethylpropanoate has a molecular weight of 190.29 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(tert-butylamino) 2,2-dimethylpropanoate is sourced from PubChem (CID 174934369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).