azane;(2-hydroxyethylamino) 2,2-dimethylpropanoate

C7H18N2O3 — CID 174766160

IUPACazane;(2-hydroxyethylamino) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ONCCO.N
InChIInChI=1S/C7H15NO3.H3N/c1-7(2,3)6(10)11-8-4-5-9;/h8-9H,4-5H2,1-3H3;1H3
InChIKeyFYRSXMODNTVDMZ-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.23
Rot. Bonds3

About azane;(2-hydroxyethylamino) 2,2-dimethylpropanoate

azane;(2-hydroxyethylamino) 2,2-dimethylpropanoate (PubChem CID 174766160) has the molecular formula C7H18N2O3 and a molecular weight of 178.23 g/mol. Its IUPAC name is azane;(2-hydroxyethylamino) 2,2-dimethylpropanoate.

Molecular Properties

Compound Nameazane;(2-hydroxyethylamino) 2,2-dimethylpropanoate
PubChem CID174766160
Molecular FormulaC7H18N2O3
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC Nameazane;(2-hydroxyethylamino) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ONCCO.N
InChIInChI=1S/C7H15NO3.H3N/c1-7(2,3)6(10)11-8-4-5-9;/h8-9H,4-5H2,1-3H3;1H3
InChIKeyFYRSXMODNTVDMZ-UHFFFAOYSA-N
XLogP0.23
TPSA93.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(6-aminohexylamino) 2,2-dimethylpropanoate
CID 58975914
(2,2-difluoroethylamino) 2,2-dimethylpropanoate
CID 174942642
azane;(tert-butylamino) 2,2-dimethylpropanoate
CID 174934369
2-[(2-methylpropan-2-yl)oxyamino]ethanol
CID 82725189
N-(2-hydroxyethyl)-2,2-dimethylpropanamide
CID 15074197
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2,2-dimethylpropanoate
CID 154107632
(2-tert-butylhydrazinyl) 2,2-dimethylpropanoate
CID 88662730
methyl 2,2-dimethylpropanoate;2-methylpropan-1-ol
CID 87522003
ethyl 2-(2-hydroxyethylamino)-2-methylpropanoate
CID 82358602
N-(2-hydroxyethyl)-4-(2-hydroxyethylamino)oxy-2,2-dimethylbutanamide
CID 58881510
[(4-nitrophenyl)methylamino] 2,2-dimethylpropanoate
CID 174870471
(butoxycarbonylamino) 2,2-dimethylpropanoate
CID 174862804

Frequently Asked Questions

What is the IUPAC name of azane;(2-hydroxyethylamino) 2,2-dimethylpropanoate?
The IUPAC name of azane;(2-hydroxyethylamino) 2,2-dimethylpropanoate (CID 174766160) is azane;(2-hydroxyethylamino) 2,2-dimethylpropanoate.
What is the SMILES notation for azane;(2-hydroxyethylamino) 2,2-dimethylpropanoate?
The canonical SMILES for azane;(2-hydroxyethylamino) 2,2-dimethylpropanoate is CC(C)(C)C(=O)ONCCO.N.
What is the InChIKey of azane;(2-hydroxyethylamino) 2,2-dimethylpropanoate?
The InChIKey is FYRSXMODNTVDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3.H3N/c1-7(2,3)6(10)11-8-4-5-9;/h8-9H,4-5H2,1-3H3;1H3.
What are the key properties of azane;(2-hydroxyethylamino) 2,2-dimethylpropanoate?
azane;(2-hydroxyethylamino) 2,2-dimethylpropanoate has a molecular weight of 178.23 g/mol, XLogP of 0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(2-hydroxyethylamino) 2,2-dimethylpropanoate is sourced from PubChem (CID 174766160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).